{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "khusimol",
 "type": "Molecule",
 "version": 2,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-167519",
  "GC-10"
 ],
 "notes": "Identity from data/p2/science/molecules.json (lane L, PubChem, 2026-09-27; CAS 16223-63-5).",
 "name": {
  "value": "khusimol",
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9044",
  "quote": "Khusimol",
  "confidence": "A"
 },
 "cas": {
  "value": "16223-63-5",
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9050",
  "quote": "verified: the CAS is among the CID's PubChem synonyms",
  "confidence": "A"
 },
 "pubchem_cid": {
  "value": 167519,
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9043",
  "confidence": "A"
 },
 "formula": {
  "value": "C15H24O",
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9045",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 220.35,
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9046",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "[(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol",
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9047",
  "confidence": "A"
 },
 "smiles": {
  "value": "CC1([C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)CO)C",
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9048",
  "confidence": "A"
 },
 "inchikey": {
  "value": "OOYRHNIVDZZGQV-BHPKHCPMSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9049",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "00028E5F00000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-167519",
  "where": "data/p2/science/molecules.json:9054",
  "note": "PubChem’s computed 3D conformer: a model, drawn schematically, not an experimental structure (data/p2/science/molecules.json note)",
  "atoms": [
   {
    "i": 1,
    "el": "O",
    "xyz": [
     -4.24,
     -0.4665,
     0.8846
    ]
   },
   {
    "i": 2,
    "el": "C",
    "xyz": [
     -0.6709,
     -0.4023,
     -0.371
    ]
   },
   {
    "i": 3,
    "el": "C",
    "xyz": [
     -0.1908,
     0.898,
     0.3226
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     1.4219,
     -1.4473,
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    ]
   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     -0.0361,
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    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     -2.2009,
     -0.2644,
     -0.3436
    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     -0.114,
     -0.5364,
     -1.8128
    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     2.1314,
     -0.2052,
     0.5223
    ]
   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     1.2215,
     -1.2776,
     -1.6598
    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
     -1.1155,
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    ]
   },
   {
    "i": 11,
    "el": "C",
    "xyz": [
     1.3191,
     1.0834,
     0.2509
    ]
   },
   {
    "i": 12,
    "el": "C",
    "xyz": [
     -2.4398,
     1.2409,
     -0.574
    ]
   },
   {
    "i": 13,
    "el": "C",
    "xyz": [
     -2.8514,
     -0.7237,
     0.9633
    ]
   },
   {
    "i": 14,
    "el": "C",
    "xyz": [
     2.3405,
     -0.5045,
     2.0292
    ]
   },
   {
    "i": 15,
    "el": "C",
    "xyz": [
     3.5477,
     -0.0241,
     -0.0747
    ]
   },
   {
    "i": 16,
    "el": "C",
    "xyz": [
     1.8772,
     2.2731,
     -0.0322
    ]
   },
   {
    "i": 17,
    "el": "H",
    "xyz": [
     -0.433,
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    ]
   },
   {
    "i": 18,
    "el": "H",
    "xyz": [
     1.997,
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    ]
   },
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    "i": 19,
    "el": "H",
    "xyz": [
     -0.4625,
     -2.5456,
     -0.0496
    ]
   },
   {
    "i": 20,
    "el": "H",
    "xyz": [
     -0.1494,
     -1.596,
     1.4078
    ]
   },
   {
    "i": 21,
    "el": "H",
    "xyz": [
     -2.6691,
     -0.8248,
     -1.1627
    ]
   },
   {
    "i": 22,
    "el": "H",
    "xyz": [
     0.0245,
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    ]
   },
   {
    "i": 23,
    "el": "H",
    "xyz": [
     -0.7819,
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     -2.4441
    ]
   },
   {
    "i": 24,
    "el": "H",
    "xyz": [
     1.1339,
     -2.2669,
     -2.1271
    ]
   },
   {
    "i": 25,
    "el": "H",
    "xyz": [
     2.0343,
     -0.762,
     -2.1746
    ]
   },
   {
    "i": 26,
    "el": "H",
    "xyz": [
     -0.7158,
     2.3705,
     -1.22
    ]
   },
   {
    "i": 27,
    "el": "H",
    "xyz": [
     -1.2635,
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    ]
   },
   {
    "i": 28,
    "el": "H",
    "xyz": [
     -3.2426,
     1.6526,
     0.0462
    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
     -2.7251,
     1.4197,
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    ]
   },
   {
    "i": 30,
    "el": "H",
    "xyz": [
     -2.4581,
     -0.1882,
     1.8322
    ]
   },
   {
    "i": 31,
    "el": "H",
    "xyz": [
     -2.7082,
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     1.1275
    ]
   },
   {
    "i": 32,
    "el": "H",
    "xyz": [
     1.3919,
     -0.5717,
     2.5701
    ]
   },
   {
    "i": 33,
    "el": "H",
    "xyz": [
     2.8836,
     -1.4446,
     2.1771
    ]
   },
   {
    "i": 34,
    "el": "H",
    "xyz": [
     2.9173,
     0.2944,
     2.5101
    ]
   },
   {
    "i": 35,
    "el": "H",
    "xyz": [
     4.0843,
     -0.9812,
     -0.0726
    ]
   },
   {
    "i": 36,
    "el": "H",
    "xyz": [
     3.5418,
     0.3329,
     -1.1099
    ]
   },
   {
    "i": 37,
    "el": "H",
    "xyz": [
     4.1591,
     0.6702,
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    ]
   },
   {
    "i": 38,
    "el": "H",
    "xyz": [
     2.9465,
     2.4372,
     -0.0756
    ]
   },
   {
    "i": 39,
    "el": "H",
    "xyz": [
     1.2707,
     3.1553,
     -0.2076
    ]
   },
   {
    "i": 40,
    "el": "H",
    "xyz": [
     -4.5959,
     -0.9827,
     0.1413
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 13,
    "order": 1
   },
   {
    "a": 1,
    "b": 40,
    "order": 1
   },
   {
    "a": 2,
    "b": 3,
    "order": 1
   },
   {
    "a": 2,
    "b": 5,
    "order": 1
   },
   {
    "a": 2,
    "b": 6,
    "order": 1
   },
   {
    "a": 2,
    "b": 7,
    "order": 1
   },
   {
    "a": 3,
    "b": 10,
    "order": 1
   },
   {
    "a": 3,
    "b": 11,
    "order": 1
   },
   {
    "a": 3,
    "b": 17,
    "order": 1
   },
   {
    "a": 4,
    "b": 5,
    "order": 1
   },
   {
    "a": 4,
    "b": 8,
    "order": 1
   },
   {
    "a": 4,
    "b": 9,
    "order": 1
   },
   {
    "a": 4,
    "b": 18,
    "order": 1
   },
   {
    "a": 5,
    "b": 19,
    "order": 1
   },
   {
    "a": 5,
    "b": 20,
    "order": 1
   },
   {
    "a": 6,
    "b": 12,
    "order": 1
   },
   {
    "a": 6,
    "b": 13,
    "order": 1
   },
   {
    "a": 6,
    "b": 21,
    "order": 1
   },
   {
    "a": 7,
    "b": 9,
    "order": 1
   },
   {
    "a": 7,
    "b": 22,
    "order": 1
   },
   {
    "a": 7,
    "b": 23,
    "order": 1
   },
   {
    "a": 8,
    "b": 11,
    "order": 1
   },
   {
    "a": 8,
    "b": 14,
    "order": 1
   },
   {
    "a": 8,
    "b": 15,
    "order": 1
   },
   {
    "a": 9,
    "b": 24,
    "order": 1
   },
   {
    "a": 9,
    "b": 25,
    "order": 1
   },
   {
    "a": 10,
    "b": 12,
    "order": 1
   },
   {
    "a": 10,
    "b": 26,
    "order": 1
   },
   {
    "a": 10,
    "b": 27,
    "order": 1
   },
   {
    "a": 11,
    "b": 16,
    "order": 2
   },
   {
    "a": 12,
    "b": 28,
    "order": 1
   },
   {
    "a": 12,
    "b": 29,
    "order": 1
   },
   {
    "a": 13,
    "b": 30,
    "order": 1
   },
   {
    "a": 13,
    "b": 31,
    "order": 1
   },
   {
    "a": 14,
    "b": 32,
    "order": 1
   },
   {
    "a": 14,
    "b": 33,
    "order": 1
   },
   {
    "a": 14,
    "b": 34,
    "order": 1
   },
   {
    "a": 15,
    "b": 35,
    "order": 1
   },
   {
    "a": 15,
    "b": 36,
    "order": 1
   },
   {
    "a": 15,
    "b": 37,
    "order": 1
   },
   {
    "a": 16,
    "b": 38,
    "order": 1
   },
   {
    "a": 16,
    "b": 39,
    "order": 1
   }
  ]
 },
 "descriptors": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no descriptor on record: no house wording on a data file, no descriptor source filed"
 },
 "threshold": {
  "value": null,
  "unit": null,
  "medium": null,
  "method": null,
  "evidence": null,
  "source": null,
  "where": null,
  "date": null,
  "confidence": null,
  "note": "no odour-threshold measurement is filed: OT-1 has no entry, and the vetiver study already on file (GC-11) gives thresholds for the zizaenones and khusimone, not khusimol (Lane 14, 2026-09-30)"
 },
 "occurrence": [
  {
   "material": "vetiver-oil",
   "share": {
    "value": null,
    "evidence": null,
    "source": null,
    "where": null,
    "confidence": null,
    "note": "not shown: GC-10’s nine-country figure has no method stated"
   },
   "evidence": "documented",
   "source": "GC-10",
   "where": "docs/sources/GC-10-barcellos-silva-2025-vetiver.md:16",
   "quote": "VEO presents high concentrations of sesquiterpene alcohol content, and the most concentrated alcoholic molecules found within VEO are khusimol, isovalenenol, and vetiselinenol (Figure 1).",
   "note": "and in Haitian oil among the metabolites responsible for its odour (docs/sources/GC-10-barcellos-silva-2025-vetiver.md:22)",
   "confidence": "B"
  }
 ],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "data/1b/volatility.json (modeled) has no entry for khusimol"
 },
 "regulation": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no Regulation record yet"
 },
 "media": [],
 "links": {
  "material": "/material/vetiver-oil",
  "card": "/materials#naturals",
  "essay": "/materials#origin-vetiver"
 },
 "copy": {
  "lede": "Khusimol, C15H24O, is the sesquiterpene alcohol the house’s vetiver essay names as the oil’s principal molecule. Its identity is PubChem’s.",
  "body": [
   "A review of vetiver counts it among the oil’s most concentrated alcohols and, in Haitian oil, among the molecules responsible for its odour. No share is given here."
  ]
 }
}