{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "agarospirol",
 "type": "Molecule",
 "version": 3,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-21675005",
  "GC-14"
 ],
 "notes": "Identity fetched from PubChem by Lane 11 (2026-09-30) by the page’s CAS, 1460-73-7, which resolves to this CID only; raw responses in reports/plan-steps/step7/pubchem/.",
 "name": {
  "value": "agarospirol",
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:11",
  "quote": "Agarospirol",
  "confidence": "A"
 },
 "cas": {
  "value": "1460-73-7",
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.synonyms.json:8",
  "quote": "1460-73-7",
  "confidence": "A",
  "note": "among the CID’s PubChem synonyms, and PubChem resolves it back to this CID"
 },
 "pubchem_cid": {
  "value": 21675005,
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:5",
  "confidence": "A"
 },
 "formula": {
  "value": "C15H26O",
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:6",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 222.37,
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:7",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol",
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:10",
  "confidence": "A"
 },
 "smiles": {
  "value": "C[C@@H]1CCC=C([C@@]12CC[C@H](C2)C(C)(C)O)C",
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:8",
  "confidence": "A"
 },
 "inchikey": {
  "value": "ICWHTQRTTHCUHW-NFAWXSAZSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.property.json:9",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "014ABBFD00000002",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-21675005",
  "where": "reports/plan-steps/step7/pubchem/cid-21675005.3d.sdf:155",
  "note": "PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure",
  "atoms": [
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    "el": "O",
    "xyz": [
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    ]
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    "xyz": [
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    "i": 42,
    "el": "H",
    "xyz": [
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  ],
  "bonds": [
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    "a": 1,
    "b": 9,
    "order": 1
   },
   {
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    "order": 1
   },
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   },
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  ]
 },
 "descriptors": {
  "value": [
   "spicy",
   "peppery",
   "woody"
  ],
  "evidence": "documented",
  "source": "GC-14",
  "where": "docs/sources/GC-14-wen-2026-agarospirol.md:16",
  "quote": "Among these, agarospirol [17] is recognized as a characteristic aroma component [3,18], imparting a unique spicy, peppery, and woody note [19].",
  "confidence": "B"
 },
 "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 no open-access study was found (Lane 14, 2026-09-30)"
 },
 "occurrence": [
  {
   "material": "agarwood-oil",
   "share": {
    "value": null,
    "evidence": null,
    "source": null,
    "where": null,
    "confidence": null,
    "note": "no share on record"
   },
   "evidence": "documented",
   "source": "GC-14",
   "where": "docs/sources/GC-14-wen-2026-agarospirol.md:19",
   "quote": "It was first isolated by Bhattacharyya et al. from the essential oil of Aquilaria malaccensis [20], and was later obtained from Aquilaria sinensis by Yang Junshan et al.",
   "note": "first isolated from the essential oil of A. malaccensis (cited by GC-14)",
   "confidence": "B"
  }
 ],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "data/1b/volatility.json (modeled) has no entry for agarospirol"
 },
 "regulation": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no Regulation record yet"
 },
 "media": [],
 "links": {
  "material": "/material/agarwood-oil",
  "essay": "/materials#origin-oud"
 },
 "copy": {
  "lede": "Agarospirol, C15H26O, CAS 1460-73-7, is the sesquiterpene alcohol the house’s oud essay names as its key molecule. Its identity is PubChem’s.",
  "body": [
   "A study of its biosynthesis calls it one of agarwood’s characteristic compounds, with a spicy, peppery, woody note; it was first isolated from the essential oil of Aquilaria malaccensis."
  ]
 },
 "descriptor_links": [
  {
   "as_used": "spicy",
   "descriptor": "spicy"
  },
  {
   "as_used": "peppery",
   "descriptor": "peppery"
  },
  {
   "as_used": "woody",
   "descriptor": "woody"
  }
 ]
}