Term: | cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside) |
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Accession: | CHEBI:72696
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Definition: | An anthocyanin cation found in the leaves and stems of Arabidopsis thaliana. |
Synonyms: | exact_synonym: | 5-{[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3-yl 6-O-{(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-xylopyranosyl}-beta-D-glucopyranoside |
| related_synonym: | Arabidopsis anthocyanin A11; Formula=C61H67O34; InChI=1S/C61H66O34/c1-82-35-13-25(14-36(83-2)46(35)73)6-12-43(70)94-56-45(72)32(66)21-86-60(56)95-57-52(79)49(76)40(22-84-42(69)11-5-24-3-8-28(9-4-24)87-58-53(80)50(77)47(74)38(20-62)91-58)93-61(57)90-37-18-29-33(88-55(37)26-7-10-30(64)31(65)15-26)16-27(63)17-34(29)89-59-54(81)51(78)48(75)39(92-59)23-85-44(71)19-41(67)68/h3-18,32,38-40,45,47-54,56-62,66,72,74-81H,19-23H2,1-2H3,(H4-,63,64,65,67,68,70,73)/p+1/b11-5+/t32-,38-,39-,40-,45+,47-,48-,49-,50+,51+,52+,53-,54-,56-,57-,58-,59-,60+,61-/m1/s1; InChIKey=QRNIDVBVORPNBX-YYZQHOFDSA-O; SMILES=COc1cc(\\C=C\\C(=O)O[C@H]2[C@@H](OC[C@@H](O)[C@@H]2O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\\C=C\\c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)O[C@H]2Oc2cc3c(O[C@@H]4O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)cc(OC)c1O; cyanidin 3-O-[6-O-(4-O-beta-D-glucopyranosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylopyranosyl)-beta-D-glucopyranosyl]-5-O-(6-O-malonyl-beta-D-glucopyranoside) |
| xref: | LIPID_MAPS_instance:LMPK12010193; PMID:11830144; PMID:15807784; PMID:17600138; Reaxys:9114901 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:72649 |
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