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CHEBI:196997 - (-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione

ChEBI IDCHEBI:196997
ChEBI Name(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILES[H][C@@]12C=C(C)C(=O)[C@]1([H])CC(COC(C)=O)=C[C@@]1([H])C(=C(C)C)C(=O)C[C@@H](C)[C@]21O
InChIInChI=1S/C22H28O5/c1-11(2)20-18-9-15(10-27-14(5)23)8-16-17(6-12(3)21(16)25)22(18,26)13(4)7-19(20)24/h6,9,13,16-18,26H,7-8,10H2,1-5H3/t13-,16-,17-,18+,22+/m1/s1
InChIKeyQGMWYPVORBWEBD-RJFKWGFDSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione (CHEBI:196997) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(3aR,6aS,10R,10aS,10bR)-10a-hydroxy-2,10-dimethyl-3,8-dioxo-7-propan-2-ylidene-3a,4,6a,9,10,10b-hexahydrobenzo[e]azulen-5-yl]methyl acetate
Manual XrefsDatabases
24846810ChemSpider