CHEBI:198040 - Monascusazaphilone C

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ChEBI Name Monascusazaphilone C
ChEBI ID CHEBI:198040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O7
Net Charge 0
Average Mass 416.470
Monoisotopic Mass 416.18350
InChI InChI=1S/C23H28O7/c1-5-6-7-8-18(25)20-21-17-12-28-16(9-13(2)29-14(3)24)10-15(17)11-19(26)23(21,4)30-22(20)27/h10-13,20-21H,5-9H2,1-4H3/t13?,20?,21-,23-/m0/s1
InChIKey VWMGKDJYFULQOS-GNLWIDDRSA-N
SMILES O=C1C=C2C(=COC(=C2)CC(OC(=O)C)C)[C@@H]3[C@]1(OC(=O)C3C(=O)CCCCC)C
Metabolite of Species Details
Monascus (NCBI:txid5097) See: PubMed
ChEBI Ontology
Outgoing Monascusazaphilone C (CHEBI:198040) is a cyclohexenones (CHEBI:48953)
IUPAC Name
1-[(6aR,9aR)-9-hexanoyl-6a-methyl-6,8-dioxo-9,9a-dihydrouro[2,3-h]isochromen-3-yl]propan-2-yl acetate
Manual Xref Database
78440707 ChemSpider
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