CHEBI:200338 - Ustilaginoidin O

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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 O
ChEBI ID CHEBI:200338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H22O10
Net Charge 0
Average Mass 530.485
Monoisotopic Mass 530.12130
InChI InChI=1S/C29H22O10/c1-9-4-14(30)25-19(38-9)5-12-21(15(31)7-17(33)23(12)28(25)36)22-13-6-20-26(27(35)10(2)11(3)39-20)29(37)24(13)18(34)8-16(22)32/h5-9,31,33-37H,4H2,1-3H3/t9-/m0/s1
InChIKey LKPYTSCQUKSTQT-VIFPVBQESA-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)=C(OC6=C5)C)C(=C1)O
Metabolite of Species Details
Ustilaginoidea virens (NCBI:txid1159556) See: PubMed
ChEBI Ontology
Outgoing Ustilaginoidin O (CHEBI:200338) is a organic heterotricyclic compound (CHEBI:26979)
Ustilaginoidin O (CHEBI:200338) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4,5,6-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)benzo[g]chromen-8-one
Manual Xref Database
78434657 ChemSpider
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