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CHEBI:70226 - Glucodichotomine B

ChEBI IDCHEBI:70226
ChEBI NameGlucodichotomine B
Stars
DefinitionA natural product found in Stellaria dichotoma var. lanceolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22N2O9
Net Charge0
Average Mass434.401
Monoisotopic Mass434.13253
SMILES[H][C@@]1(O[C@@H](CO)c2nc(C(=O)O)cc3c2nc2ccccc23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H22N2O9/c23-6-12(30-20-18(27)17(26)16(25)13(7-24)31-20)15-14-9(5-11(22-15)19(28)29)8-3-1-2-4-10(8)21-14/h1-5,12-13,16-18,20-21,23-27H,6-7H2,(H,28,29)/t12-,13+,16+,17-,18+,20+/m0/s1
InChIKeyWQKKQBMRVKDLBP-GOPHKZMVSA-N
Species of MetaboliteComponentSourceComments
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) root (BTO:0001188) PubMed (21090796) Methanolic extract of air-dried, powdered roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
Glucodichotomine B (CHEBI:70226) has role metabolite (CHEBI:25212)
Glucodichotomine B (CHEBI:70226) is a harmala alkaloid (CHEBI:61379)
Citations