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CHEBI:78259 - oryzalexin E

ChEBI IDCHEBI:78259
ChEBI Nameoryzalexin E
Stars
DefinitionA tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3α- and 9β-positions.
Last Modified8 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12CCC3=C[C@](C)(C=C)CC[C@@]3(O)[C@]1(C)CC[C@@H](O)C2(C)C
InChIInChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1
InChIKeyRGLTYROISYBKIW-BDUQCRIQSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
oryzalexin E (CHEBI:78259) has role plant metabolite (CHEBI:76924)
oryzalexin E (CHEBI:78259) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(3α,5β,9β,10α)-pimara-8(14),15-diene-3,9-diol
Synonyms  Source
ent-sandaracopimaradien-3α,7β-diolSUBMITTER
3α,9β-dihydroxy-ent-sandaracopimaradieneChEBI
UniProt Name  Source
oryzalexin EUniProt
Manual XrefsDatabases
CPD-16611MetaCyc
HMDB0039702HMDB
Registry NumbersSources
CAS:150943-96-7HMDB
Citations