CHEBI:209895 - Dihydroisoustilaginoidin 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 Dihydroisoustilaginoidin A
ChEBI ID CHEBI:209895
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H20O10
Net Charge 0
Average Mass 516.458
Monoisotopic Mass 516.10565
InChI InChI=1S/C28H20O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3,5-8,10,29,32-36H,4H2,1-2H3/t10-/m0/s1
InChIKey IIKCGQWDQVJPMD-JTQLQIEISA-N
SMILES O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C=C(OC6=C5)C)C(=C1)O
Metabolite of Species Details
Verticillium (NCBI:txid1036719) See: PubMed
ChEBI Ontology
Outgoing Dihydroisoustilaginoidin A (CHEBI:209895) is a organic heterotricyclic compound (CHEBI:26979)
Dihydroisoustilaginoidin A (CHEBI:209895) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4,5,6-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)benzo[g]chromen-8-one
Manual Xref Database
78434972 ChemSpider
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