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CHEBI:218092 - Antrocamol LT3

ChEBI IDCHEBI:218092
ChEBI NameAntrocamol LT3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILESCOC1=C(OC)[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)C/C=C/C(C)(C)O)[C@@H](C)C1=O
InChIInChI=1S/C24H38O5/c1-16(12-9-15-24(4,5)27)10-8-11-17(2)13-14-19-18(3)20(25)22(28-6)23(29-7)21(19)26/h9-10,13,15,18-19,21,26-27H,8,11-12,14H2,1-7H3/b15-9+,16-10+,17-13+/t18-,19-,21-/m1/s1
InChIKeyLUSZELLFBWUVBI-IWBJKXSYSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (25721423)
ChEBI Ontology
Outgoing Relation(s)
Antrocamol LT3 (CHEBI:218092) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,5R,6R)-4-hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-trimethyldodeca-2,6,9-trienyl]-2,3-dimethoxy-6-methylcyclohex-2-en-1-one
Manual XrefsDatabases
78442365ChemSpider