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CHEBI:216728 - Kodaistatin A

ChEBI IDCHEBI:216728
ChEBI NameKodaistatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H34O11
Net Charge0
Average Mass630.646
Monoisotopic Mass630.21011
SMILESCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)C(O)(C(C)=O)C(O)C1=O
InChIInChI=1S/C35H34O11/c1-5-17(2)12-18(3)6-9-22(38)14-25-30(35(45,19(4)36)33(43)31(25)41)24-16-27(40)26(39)15-23(24)29-32(42)28(46-34(29)44)13-20-7-10-21(37)11-8-20/h6-13,15-17,33,37,39-40,42-43,45H,5,14H2,1-4H3/b9-6+,18-12+,28-13-
InChIKeyYACYONYLJTYMLP-AIXQLNHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (10994809)
ChEBI Ontology
Outgoing Relation(s)
Kodaistatin A (CHEBI:216728) 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]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]uran-2-one
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