CHEBI:219066 - Monaphilol 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 Monaphilol A
ChEBI ID CHEBI:219066
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O5
Net Charge 0
Average Mass 384.472
Monoisotopic Mass 384.19367
InChI InChI=1S/C23H28O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14,21,25H,4,6-9,11H2,1-3H3/b10-5+/t21-,23+/m0/s1
InChIKey QJDKAFMLUWHXPD-BQWZEFPDSA-N
SMILES O=C1O[C@]2([C@@H](O)C3=COC(=CC3=CC2=C1C(=O)CCCCCCC)/C=C/C)C
Metabolite of Species Details
Monascus purpureus (NCBI:txid5098) See: PubMed
ChEBI Ontology
Outgoing Monaphilol A (CHEBI:219066) is a polyketide (CHEBI:26188)
IUPAC Name
(9S,9aR)-9-hydroxy-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]-9H-uro[3,2-g]isochromen-2-one
Manual Xref Database
78441372 ChemSpider
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