{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "methyl-dihydrojasmonate",
 "type": "Molecule",
 "version": 1,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-102861",
  "KLE-1"
 ],
 "name": {
  "value": "methyl dihydrojasmonate (Hedione)",
  "evidence": "documented",
  "source": "KLE-1",
  "where": "docs/sources/KLE-1-kleoff-2022-odorants-in-flow.md:24",
  "quote": "hedione (methyl dihydrojasmonate), … has a fresh, citric and slightly floral scent – but is commonly categorized as a middle note",
  "confidence": "A",
  "note": "PubChem’s title for CID 102861 is \"Hedione\", a trade name"
 },
 "cas": {
  "value": "24851-98-7",
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.synonyms.json:8",
  "quote": "24851-98-7",
  "confidence": "A",
  "note": "among the CID’s PubChem synonyms, and PubChem resolves it back to this CID"
 },
 "pubchem_cid": {
  "value": 102861,
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.property.json:5",
  "confidence": "A"
 },
 "formula": {
  "value": "C13H22O3",
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.property.json:6",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 226.31,
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.property.json:7",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "methyl 2-(3-oxo-2-pentylcyclopentyl)acetate",
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.property.json:10",
  "confidence": "A"
 },
 "smiles": {
  "value": "CCCCCC1C(CCC1=O)CC(=O)OC",
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.property.json:8",
  "confidence": "A"
 },
 "inchikey": {
  "value": "KVWWIYGFBYDJQC-UHFFFAOYSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.property.json:9",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "000191CD00000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-102861",
  "where": "reports/plan-steps/step7/pubchem/cid-102861.3d.sdf:396",
  "note": "PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure",
  "atoms": [
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  "bonds": [
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    "a": 1,
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  ]
 },
 "descriptors": {
  "value": [
   "fresh",
   "citric",
   "slightly floral"
  ],
  "evidence": "documented",
  "source": "KLE-1",
  "where": "docs/sources/KLE-1-kleoff-2022-odorants-in-flow.md:24",
  "quote": "hedione (methyl dihydrojasmonate), … has a fresh, citric and slightly floral scent – but is commonly categorized as a middle note",
  "confidence": "A"
 },
 "threshold": {
  "value": null,
  "unit": null,
  "medium": null,
  "method": null,
  "evidence": null,
  "source": null,
  "where": null,
  "date": null,
  "confidence": null,
  "note": "no odour-threshold source in the repository"
 },
 "occurrence": [],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no volatility class on record for methyl dihydrojasmonate (data/1b/volatility.json has no entry)"
 },
 "regulation": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no Regulation record names it"
 },
 "media": [],
 "links": {
  "explorer": "/science#mol-explorer"
 },
 "copy": {
  "lede": "Methyl dihydrojasmonate, sold as Hedione, smells fresh, citric and slightly floral, and is treated as a middle note.",
  "body": [
   "It is the jasmine-related material of the teaching white-floral accord. Its identity is PubChem’s."
  ]
 },
 "descriptor_links": [
  {
   "as_used": "fresh",
   "descriptor": "fresh"
  },
  {
   "as_used": "citric",
   "descriptor": "citrus"
  },
  {
   "as_used": "slightly floral",
   "descriptor": "floral"
  }
 ]
}