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CHEBI:64944 - ascorbigen

ChEBI IDCHEBI:64944
ChEBI Nameascorbigen
Stars
DefinitionAn indolyl carbohydrate that consists of (3aS,6S,6aR)-3,3a,6-trihydroxy-3-tetrahydrofuro[3,2-b]furan-2-one in which position 3 is substituted by an indol-3-ylmethyl group. Formed from indole-3-carbinol and ascorbic acid in brassica vegetables.
Last Modified18 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC15H15NO6
Net Charge0
Average Mass305.286
Monoisotopic Mass305.08994
SMILES[H][C@]12OC(=O)C(O)(Cc3cnc4ccccc34)[C@@]1(O)OC[C@@H]2O
InChIInChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14?,15-/m0/s1
InChIKeyOMSJCIOTCFHSIT-KNUOEEMSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ascorbigen (CHEBI:64944) has functional parent L-ascorbic acid (CHEBI:29073)
ascorbigen (CHEBI:64944) has role metabolite (CHEBI:25212)
ascorbigen (CHEBI:64944) is a indolyl carbohydrate (CHEBI:24821)
IUPAC Name 
(3aS,6S,6aR)-3,3a,6-trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-one
Synonym  Source
indol-3-ylmethyl-ascorbateMetaCyc
Manual XrefsDatabases
CPDQT-426MetaCyc
Registry NumbersSources
Reaxys:8007336Reaxys
CAS:8075-98-7ChemIDplus
Citations