{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "methyl-jasmonate",
 "type": "Molecule",
 "version": 1,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-5281929",
  "JAS-1"
 ],
 "notes": "The 1962 isolation from the flowers of Jasminum grandiflorum is an Historical Event (JAS-1); no occurrence in a Material record is filed (the flowers are not a material record).",
 "name": {
  "value": "(-)-Methyl jasmonate",
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:11",
  "quote": "(-)-Methyl jasmonate",
  "confidence": "A"
 },
 "cas": {
  "value": "1211-29-6",
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.synonyms.json:8",
  "quote": "1211-29-6",
  "confidence": "A",
  "note": "among the CID’s PubChem synonyms, and PubChem resolves it back to this CID"
 },
 "pubchem_cid": {
  "value": 5281929,
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:5",
  "confidence": "A"
 },
 "formula": {
  "value": "C13H20O3",
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:6",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 224.3,
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:7",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate",
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:10",
  "confidence": "A"
 },
 "smiles": {
  "value": "CC/C=C\\C[C@@H]1[C@H](CCC1=O)CC(=O)OC",
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:8",
  "confidence": "A"
 },
 "inchikey": {
  "value": "GEWDNTWNSAZUDX-WQMVXFAESA-N",
  "evidence": "documented",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.property.json:9",
  "confidence": "A"
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 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "0050988900000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-5281929",
  "where": "reports/plan-steps/step7/pubchem/cid-5281929.3d.sdf:246",
  "note": "PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure",
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  ]
 },
 "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 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 jasmonate (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 jasmonate was isolated from the flowers of Jasminum grandiflorum and reported in 1962.",
  "body": [
   "It is recorded here for that history. Its identity is PubChem’s."
  ]
 },
 "descriptor_links": []
}