CHEBI:206505 - Verrulactone 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 Verrulactone A
ChEBI ID CHEBI:206505
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H18O12
Net Charge 0
Average Mass 546.440
Monoisotopic Mass 546.07983
InChI InChI=1S/C28H18O12/c1-37-9-3-11-19(13(29)5-9)27(35)39-17-7-15(31)25(33)23(21(11)17)24-22-12-4-10(38-2)6-14(30)20(12)28(36)40-18(22)8-16(32)26(24)34/h3-8,29-34H,1-2H3
InChIKey ZSHZQCWUSDSOFB-UHFFFAOYSA-N
SMILES O=C1OC2=C(C(=C(O)C(=C2)O)C3=C(O)C(O)=CC4=C3C5=C(C(O)=CC(=C5)OC)C(O4)=O)C=6C1=C(O)C=C(OC)C6
Metabolite of Species Details
Talaromyces verruculosus (NCBI:txid198730) See: PubMed
ChEBI Ontology
Outgoing Verrulactone A (CHEBI:206505) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name
2,3,7-trihydroxy-9-methoxy-1-(2,3,7-trihydroxy-9-methoxy-6-oxobenzo[c]chromen-1-yl)benzo[c]chromen-6-one
Manual Xref Database
28289569 ChemSpider
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