CHEBI:169709 - Momilactone B

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ChEBI Name Momilactone B
ChEBI ID CHEBI:169709
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H26O4
Net Charge 0
Average Mass 330.424
Monoisotopic Mass 330.18311
InChI InChI=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
InChIKey SONPFFIKLYCKOY-WXVXRDCTSA-N
SMILES O1C2(O)[C@]3([C@]4([C@@]([C@]5(C(=CC4OC3=O)C[C@](CC5)(C)C=C)[H])(CC2)C1)[H])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 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 Xref Database
2341968 ChemSpider
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Registry Number Type Source
51415-08-8 CAS Registry Number ChemIDplus