CHEBI:71606 - salvianin(2−)

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ChEBI Name salvianin(2−) ChEBI ID CHEBI:71606 ChEBI ASCII Name salvianin(2-) Definition A dicarboxylic acid anion obtained by deprotonation of the two carboxy groups and the 7-hydroxy group of salvianin. 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 C42H38O24 Net Charge -2 Average Mass 926.73670 Monoisotopic Mass 926.17640 InChI InChI=1S/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p-2/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1 InChIKey PJBHNEIXNNZROX-QBMVVDGVSA-L SMILES O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)CC([O-])=O)[C@@H](OC(=O)CC([O-])=O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O ChEBI Ontology Outgoing salvianin(2−) (CHEBI:71606) is a dicarboxylic acid dianion (CHEBI:28965) salvianin(2−) (CHEBI:71606) is conjugate base of salvianin (CHEBI:32115) Incoming salvianin (CHEBI:32115) is conjugate acid of salvianin(2−) (CHEBI:71606) IUPAC Name 3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-7-oxidochromenium-5-yl 4,6-bis-O-(carboxylatoacetyl)-β-D-glucopyranoside Synonym Source salvianin UniProt Citation Type Source 10845463 PubMed citation SUBMITTER Last Modified 20 March 2014