CHEBI:169812 - Yucalexin P15

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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 Yucalexin P15
ChEBI ID CHEBI:169812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O4
Net Charge 0
Average Mass 330.424
Monoisotopic Mass 330.18311
InChI InChI=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
InChIKey WNHOOXVMGONUHL-XUMBOQAASA-N
SMILES O[C@H]1C([C@@]2([C@@](CC1=O)(C=3C(=CC2)[C@H](O)[C@@](C(=O)C3)(C)C=C)C)[H])(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
30777169 ChemSpider
HMDB0036753 HMDB
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