CHEBI:71512 - 1-O-vanilloyl-β-D-glucose

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ChEBI Name 1-O-vanilloyl-β-D-glucose ChEBI ID CHEBI:71512 ChEBI ASCII Name 1-O-vanilloyl-beta-D-glucose Definition An O-acyl carbohydrate that is β-D-glucose bearing a vanilloyl substituent at position 1. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H18O9 Net Charge 0 Average Mass 330.28730 Monoisotopic Mass 330.09508 InChI InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1 InChIKey YROOZUQRTLHXIO-DIACKHNESA-N SMILES COc1cc(ccc1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChEBI Ontology Outgoing 1-O-vanilloyl-β-D-glucose (CHEBI:71512) has functional parent 1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) 1-O-vanilloyl-β-D-glucose (CHEBI:71512) has functional parent vanillic acid (CHEBI:30816) 1-O-vanilloyl-β-D-glucose (CHEBI:71512) is a O-acyl carbohydrate (CHEBI:52782) IUPAC Name 1-O-(4-hydroxy-3-methoxybenzoyl)-β-D-glucopyranose Synonym Source 1-O-(4-hydroxy-3-methoxybenzoyl)-β-D-glucose UniProt Manual Xref Database CPD-15006 MetaCyc View more database links Registry Number Type Source 41323 Reaxys Registry Number Reaxys Last Modified 27 February 2018