CHEBI:138820 - Delphinidin 5-O-β-D-glucoside 3-O-β-D-sambubioside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Delphinidin 5-O-β-D-glucoside 3-O-β-D-sambubioside
ChEBI ID CHEBI:138820
ChEBI ASCII Name Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H39O21
Net Charge +1
Average Mass 759.641
Monoisotopic Mass 759.19783
InChI InChI=1S/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1/t14-,18-,19-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1
InChIKey SVKUZBZQDMYGEP-AHKATGCTSA-O
SMILES [C@H]1([C@H]([C@@H]([C@@H](O)[C@@H](O1)OC=2C=3C=C(C(C4=CC(=C(O)C(=C4)O)O)=[O+]C3C=C(O)C2)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6OC[C@H]([C@@H]([C@H]6O)O)O)O)CO)O)O)CO
ChEBI Ontology
Outgoing Delphinidin 5-O-β-D-glucoside 3-O-β-D-sambubioside (CHEBI:138820) is a anthocyanidin glycoside (CHEBI:71583)
Manual Xref Database
C20494 KEGG COMPOUND
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Last Modified
25 October 2017