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CHEBI:204454 - Indigotide A

ChEBI IDCHEBI:204454
ChEBI NameIndigotide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O9
Net Charge0
Average Mass422.430
Monoisotopic Mass422.15768
SMILESC/C=C/C=C/C1=Cc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c(O)c2CO1
InChIInChI=1S/C21H26O9/c1-3-4-5-6-12-7-11-8-14(23)19(16(24)13(11)10-28-12)30-21-18(26)17(25)20(27-2)15(9-22)29-21/h3-8,15,17-18,20-26H,9-10H2,1-2H3/b4-3+,6-5+/t15-,17-,18-,20-,21+/m1/s1
InChIKeyUZKSDYSVVKHBHE-IRVUIYMISA-N
Species of MetaboliteComponentSourceComments
Metarhizium indigoticum (ncbitaxon:1076431) - DOI (10.1016/j.tetlet.2011.10.013)
ChEBI Ontology
Outgoing Relation(s)
Indigotide A (CHEBI:204454) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-[(1E,3E)-penta-1,3-dienyl]-1H-isochromene-6,8-diol
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78437141ChemSpider