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CHEBI:204608 - Indigotide B

ChEBI IDCHEBI:204608
ChEBI NameIndigotide B
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SubmitterMetaboLights
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FormulaC22H26O10
Net Charge0
Average Mass450.440
Monoisotopic Mass450.15260
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc(O)cc3cc4c(c(O)c23)C(=O)[C@@H](C)[C@H](C)O4)O[C@@H]1CO
InChIInChI=1S/C22H26O10/c1-8-9(2)30-12-5-10-4-11(24)6-13(15(10)18(26)16(12)17(8)25)31-22-20(28)19(27)21(29-3)14(7-23)32-22/h4-6,8-9,14,19-24,26-28H,7H2,1-3H3/t8-,9-,14+,19+,20+,21+,22+/m0/s1
InChIKeyAIUWTUISVMSLIC-WCHVAJKMSA-N
Species of MetaboliteComponentSourceComments
Metarhizium indigoticum (ncbitaxon:1076431) - DOI (10.1016/j.tetlet.2011.10.013)
ChEBI Ontology
Outgoing Relation(s)
Indigotide B (CHEBI:204608) is a benzochromenone (CHEBI:64986)
Indigotide B (CHEBI:204608) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S)-6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5,8-dihydroxy-2,3-dimethyl-2,3-dihydrobenzo[g]chromen-4-one
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34523788ChemSpider