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CHEBI:70616 - 4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside

ChEBI IDCHEBI:70616
ChEBI Name4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside
Stars
DefinitionA natural product found in Ferula gumosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC13H16O11S
Net Charge0
Average Mass380.327
Monoisotopic Mass380.04133
SMILES[H][C@@]1(Oc2ccc(C(=O)O)cc2)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/1,1,0/[a2122h-1b_1-5_1*O(CCCCCC$3/6)CO/9=O_6*OSO/3=O/3=O]/1/
InChIInChI=1S/C13H16O11S/c14-9-8(5-22-25(19,20)21)24-13(11(16)10(9)15)23-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)(H,19,20,21)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyBJNRLZLNIUCLKY-BZNQNGANSA-N
Species of MetaboliteComponentSourceComments
Ferula gumosa (ncbitaxon:371349) root (BTO:0001188) PubMed (20961138) The plant powder was extracted with MeOH
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)
4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside (CHEBI:70616) has role metabolite (CHEBI:25212)
4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside (CHEBI:70616) is a L-α-D-Hepp-(1→7)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:78618)
Citations