CHEBI:71606 - salvianin(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Formula C42H38O24
Net Charge -2
Average Mass 926.73670
Monoisotopic Mass 926.175
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 Waiting for Citations Type Source
10845463 PubMed citation SUBMITTER
Last Modified
20 March 2014