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CHEBI:169709 - Momilactone B

ChEBI IDCHEBI:169709
ChEBI NameMomilactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILES[H][C@@]12C3C=C4C[C@](C)(C=C)CC[C@@]4([H])[C@@]14CCC(O)(OC4)[C@]2(C)C(=O)O3
InChIInChI=1S/C20H26O4/c1-4-17(2)6-5-13-12(10-17)9-14-15-18(3,16(21)24-14)20(22)8-7-19(13,15)11-23-20/h4,9,13-15,22H,1,5-8,10-11H2,2-3H3/t13-,14?,15+,17-,18+,19+,20?/m1/s1
InChIKeySONPFFIKLYCKOY-WXVXRDCTSA-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)
Momilactone B (CHEBI:169709) is a organic heterotricyclic compound (CHEBI:26979)
Momilactone B (CHEBI:169709) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5R,12R,18R)-5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.11,9.02,7.012,18]octadec-7-en-11-one
Manual XrefsDatabases
2341968ChemSpider
Registry NumbersSources
CAS:51415-08-8ChemIDplus