CHEBI:204454 - Indigotide A

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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 Indigotide A
ChEBI ID CHEBI:204454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O9
Net Charge 0
Average Mass 422.430
Monoisotopic Mass 422.15768
InChI InChI=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
InChIKey UZKSDYSVVKHBHE-IRVUIYMISA-N
SMILES O1[C@@H](OC2=C(O)C3=C(C=C(/C=C/C=C/C)OC3)C=C2O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Metabolite of Species Details
Metarhizium indigoticum (NCBI:txid1076431) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78437141 ChemSpider
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