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

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ChEBI Name 4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside
ChEBI ID CHEBI:70616
Definition A natural product found in Ferula gumosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H16O11S
Net Charge 0
Average Mass 380.32500
Monoisotopic Mass 380.04133
InChI InChI=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
InChIKey BJNRLZLNIUCLKY-BZNQNGANSA-N
SMILES [H][C@]1(O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)Oc1ccc(cc1)C(O)=O
Metabolite of Species Details
Ferula gumosa (NCBI:txid371349) Found in root (BTO:0001188). The plant powder was extracted with MeOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
20961138 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:monosaccharide sulfate(CHEBI:24589); ISA:benzoic acids(CHEBI:22723); ISA:aromatic ether(CHEBI:35618); ISA:carbonyl compound(CHEBI:36586); ISA:alkyl sulfate(CHEBI:29281); ISA:sulfuric ester(CHEBI:26819); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352);