CHEBI:204608 - Indigotide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:204608
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O10
Net Charge 0
Average Mass 450.440
Monoisotopic Mass 450.15260
InChI InChI=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
InChIKey AIUWTUISVMSLIC-WCHVAJKMSA-N
SMILES O=C1C2=C(O)C3=C(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C=C(O)C=C3C=C2O[C@H]([C@@H]1C)C
Metabolite of Species Details
Metarhizium indigoticum (NCBI:txid1076431) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
34523788 ChemSpider
View more database links