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CHEBI:204126 - Kodaistatin C

ChEBI IDCHEBI:204126
ChEBI NameKodaistatin C
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SubmitterMetaboLights
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FormulaC35H34O12
Net Charge0
Average Mass646.645
Monoisotopic Mass646.20503
SMILESCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)c(O)c3)OC2=O)C(O)(C(C)=O)C(O)C1=O
InChIInChI=1S/C35H34O12/c1-5-16(2)10-17(3)6-8-20(37)13-23-30(35(46,18(4)36)33(44)31(23)42)22-15-27(41)26(40)14-21(22)29-32(43)28(47-34(29)45)12-19-7-9-24(38)25(39)11-19/h6-12,14-16,33,38-41,43-44,46H,5,13H2,1-4H3/b8-6+,17-10+,28-12-
InChIKeyKFMTUTLQSGURRM-MARNYXESSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (10994809)
ChEBI Ontology
Outgoing Relation(s)
Kodaistatin C (CHEBI:204126) is a catechols (CHEBI:33566)
IUPAC Name 
(5Z)-3-[2-[5-acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxonona-3,5-dienyl]-4,5-dihydroxy-3-oxocyclopenten-1-yl]-4,5-dihydroxyphenyl]-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyuran-2-one
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