CHEBI:184651 - 7beta-Hydroxy-lathyrol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7beta-Hydroxy-lathyrol
ChEBI ID CHEBI:184651
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=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
InChIKey XYXDIXJADPYNOO-BGATWKAUSA-N
SMILES O[C@@]12C([C@@H](O)[C@H](C1)C)CC([C@H](O)C[C@@]3(C([C@@]3(C=C(C2=O)C)[H])(C)C)[H])=C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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