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CHEBI:58638 - 4'''-demalonylsalvianin(1−)

ChEBI IDCHEBI:58638
ChEBI Name4'''-demalonylsalvianin(1−)
Stars
ASCII Name4'''-demalonylsalvianin(1-)
DefinitionConjugate base of 4'''-demalonylsalvianin.
Last Modified26 August 2015
DownloadsMolfile
FormulaC39H37O21
Net Charge-1
Average Mass841.704
Monoisotopic Mass841.18328
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p-1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
InChIKeyHWGACSBPJIKSNP-KMKFZPLVSA-M
ChEBI Ontology
Outgoing Relation(s)
4'''-demalonylsalvianin(1−) (CHEBI:58638) is a monocarboxylic acid anion (CHEBI:35757)
4'''-demalonylsalvianin(1−) (CHEBI:58638) is conjugate base of 4'''-demalonylsalvianin (CHEBI:31121)
Incoming Relation(s)
4'''-demalonylsalvianin (CHEBI:31121) is conjugate acid of 4'''-demalonylsalvianin(1−) (CHEBI:58638)
IUPAC Name 
3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-7-oxidochromenium-5-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
UniProt Name  Source
4'''-demalonylsalvianinUniProt