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CHEBI:229081 - Clerod-14-ene-3alpha,4beta,13xi-triol

ChEBI IDCHEBI:229081
ChEBI NameClerod-14-ene-3alpha,4beta,13xi-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O3
Net Charge0
Average Mass324.505
Monoisotopic Mass324.26645
SMILESC=CC(C)(O)CC[C@]1(C)C2CC[C@@H](O)[C@](C)(O)[C@]2(C)CC[C@H]1C
InChIInChI=1S/C20H36O3/c1-7-17(3,22)12-13-18(4)14(2)10-11-19(5)15(18)8-9-16(21)20(19,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15?,16-,17?,18+,19-,20+/m1/s1
InChIKeyBBYQYMNXQRGCRE-TWRWCPBRSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Clerod-14-ene-3alpha,4beta,13xi-triol (CHEBI:229081) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,5S,6R,8aR)-5-(3-hydroxy-3-methylpent-4-enyl)-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol
Manual XrefsDatabases
4475143ChemSpider