CHEBI:220111 - Ustilaginoidin M

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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 Ustilaginoidin M
ChEBI ID CHEBI:220111
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H24O10
Net Charge 0
Average Mass 544.512
Monoisotopic Mass 544.13695
InChI InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31,33-34,36-38H,1-4H3/t9-,11-/m1/s1
InChIKey BDIZPQDFMHMOFZ-MWLCHTKSSA-N
SMILES O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@H](C)[C@H](C(C4C3O)=O)C)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O
Metabolite of Species Details
Ustilaginoidea virens (NCBI:txid1159556) See: PubMed
ChEBI Ontology
Outgoing Ustilaginoidin M (CHEBI:220111) is a organic heterotricyclic compound (CHEBI:26979)
Ustilaginoidin M (CHEBI:220111) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4,5,6-trihydroxy-2,3-dimethyl-9-[(2R,3R)-5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl]benzo[g]chromen-8-one
Manual Xref Database
78437649 ChemSpider
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