CHEBI:198499 - Monascusazaphilone 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 Monascusazaphilone A
ChEBI ID CHEBI:198499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O4
Net Charge 0
Average Mass 372.505
Monoisotopic Mass 372.23006
InChI InChI=1S/C23H32O4/c1-5-7-8-9-10-12-23(25-4)15-20-19-16-26-18(11-6-2)13-17(19)14-21(24)22(20,3)27-23/h6,11,13-14,16,20H,5,7-10,12,15H2,1-4H3/b11-6+/t20-,22-,23?/m1/s1
InChIKey ACLSAOLGJZSVPQ-PAKVMFNUSA-N
SMILES O=C1C=C2C(=COC(=C2)/C=C/C)[C@@H]3[C@]1(OC(OC)(CCCCCCC)C3)C
Metabolite of Species Details
Monascus (NCBI:txid5097) See: PubMed
ChEBI Ontology
Outgoing Monascusazaphilone A (CHEBI:198499) is a ketal (CHEBI:59777)
IUPAC Name
(6aR,9aR)-8-heptyl-8-methoxy-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrouro[2,3-h]isochromen-6-one
Manual Xref Database
78440735 ChemSpider
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