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CHEBI:169812 - Yucalexin P15

ChEBI IDCHEBI:169812
ChEBI NameYucalexin P15
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILES[H][C@]12CC=C3C(=CC(=O)[C@](C)(C=C)[C@H]3O)[C@]1(C)CC(=O)[C@@H](O)C2(C)C
InChIInChI=1S/C20H26O4/c1-6-19(4)15(22)9-12-11(16(19)23)7-8-14-18(2,3)17(24)13(21)10-20(12,14)5/h6-7,9,14,16-17,23-24H,1,8,10H2,2-5H3/t14-,16+,17-,19+,20+/m1/s1
InChIKeyWNHOOXVMGONUHL-XUMBOQAASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Yucalexin P15 (CHEBI:169812) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,4bR,7S,8aS)-2-ethenyl-1,7-dihydroxy-2,4b,8,8-tetramethyl-5,7,8a,9-tetrahydro-1H-phenanthrene-3,6-dione
Manual XrefsDatabases
30777169ChemSpider
HMDB0036753HMDB