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CHEBI:170109 - Oryzalexin S

ChEBI IDCHEBI:170109
ChEBI NameOryzalexin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@@]12CC[C@]3(C1)[C@@]1(C)C[C@@H](O)C[C@](C)(CO)[C@]1([H])CC[C@@]3([H])C=C2C
InChIInChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3/t14-,15+,16+,17+,18-,19+,20-/m1/s1
InChIKeyOXKYBEZXRLIPKC-OSIAAWHGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Oryzalexin S (CHEBI:170109) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,4R,6S,7R,10S,13R)-6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-en-4-ol
Manual XrefsDatabases
71116872ChemSpider