CHEBI:228902 - Praeruptorin A

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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 Praeruptorin A
ChEBI ID CHEBI:228902
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H22O7
Net Charge 0
Average Mass 386.400
Monoisotopic Mass 386.13655
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m0/s1
InChIKey XGPBRZDOJDLKOT-NXIDYTHLSA-N
SMILES O1C([C@@H](OC(=O)/C(/C)=C\C)[C@@H](OC(=O)C)C2=C1C=CC3=C2OC(=O)C=C3)(C)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Praeruptorin A (CHEBI:228902) is a coumarins (CHEBI:23403)
IUPAC Name
[(9S,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-9-yl] (Z)-2-methylbut-2-enoate
Manual Xref Database
24534075 ChemSpider
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