CHEBI:197689 - Aschernaphthopyrone 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 Aschernaphthopyrone A
ChEBI ID CHEBI:197689
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H24O9
Net Charge 0
Average Mass 516.502
Monoisotopic Mass 516.14203
InChI InChI=1S/C29H24O9/c1-10-3-12-6-14-23(17(31)8-19(33)25(14)27(35)21(12)16(30)4-10)24-15-7-13-5-11(2)38-29(37)22(13)28(36)26(15)20(34)9-18(24)32/h6-11,31-36H,3-5H2,1-2H3
InChIKey GQZZSZWQHSTSED-UHFFFAOYSA-N
SMILES O=C1OC(CC=2C1=C(O)C3=C(O)C=C(O)C(=C3C2)C4=C(O)C=C(O)C=5C4=CC=6CC(C)CC(C6C5O)=O)C
Metabolite of Species Details
Aschersonia (NCBI:txid100986) See: PubMed
ChEBI Ontology
Outgoing Aschernaphthopyrone A (CHEBI:197689) is a organic heterotricyclic compound (CHEBI:26979)
Aschernaphthopyrone A (CHEBI:197689) is a organooxygen compound (CHEBI:36963)
IUPAC Name
7,9,10-trihydroxy-3-methyl-6-(2,4,10-trihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-1-yl)-3,4-dihydrobenzo[g]isochromen-1-one
Manual Xref Database
78434600 ChemSpider
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