CHEBI:216330 - Neobulgarone A/B

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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 Neobulgarone A/B
ChEBI ID CHEBI:216330
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H26O8
Net Charge 0
Average Mass 538.552
Monoisotopic Mass 538.16277
InChI InChI=1S/C32H26O8/c1-13-5-17-25(19-9-15(33)11-21(35)27(19)31(37)29(17)23(7-13)39-3)26-18-6-14(2)8-24(40-4)30(18)32(38)28-20(26)10-16(34)12-22(28)36/h5-12,25-26,33-36H,1-4H3
InChIKey PQPFUPCNTQHJFA-UHFFFAOYSA-N
SMILES O=C1C2=C(OC)C=C(C)C=C2C(C3C4=C(C(=O)C5=C3C=C(C)C=C5OC)C(O)=CC(=C4)O)C=6C1=C(O)C=C(O)C6
Metabolite of Species Details
Neobulgaria pura (NCBI:txid45434) See: PubMed
ChEBI Ontology
Outgoing Neobulgarone A/B (CHEBI:216330) is a anthracenes (CHEBI:46955)
IUPAC Name
10-(2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
Manual Xref Database
78435975 ChemSpider
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