EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184651 - 7beta-Hydroxy-lathyrol

ChEBI IDCHEBI:184651
ChEBI Name7beta-Hydroxy-lathyrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILES[H][C@@]12C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)C3CC(=C)[C@H](O)C[C@]1([H])C2(C)C
InChIInChI=1S/C20H30O4/c1-10-6-15-17(22)12(3)9-20(15,24)18(23)11(2)7-13-14(8-16(10)21)19(13,4)5/h7,12-17,21-22,24H,1,6,8-9H2,2-5H3/t12-,13+,14-,15?,16+,17-,20+/m0/s1
InChIKeyXYXDIXJADPYNOO-BGATWKAUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7beta-Hydroxy-lathyrol (CHEBI:184651) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,5R,7S,9R,13S,14S)-1,9,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one