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CHEBI:31216 - Anemone blue anthocyanin 1

Default Structure
ChEBI IDCHEBI:31216
ChEBI NameAnemone blue anthocyanin 1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC57H61O34
Net Charge+1
Average Mass1290.081
Monoisotopic Mass1289.30388
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)c(-c4cc(O)c(O)c(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c4)[o+]c3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C57H60O34/c58-16-33-40(70)45(75)52(91-57-51(44(74)39(69)34(17-59)87-57)89-37(67)8-4-20-2-6-25(61)28(64)10-20)56(86-33)85-32-15-23-26(62)13-22(82-54-47(77)42(72)41(71)35(88-54)18-81-36(66)7-3-19-1-5-24(60)27(63)9-19)14-30(23)83-49(32)21-11-29(65)38(68)31(12-21)84-55-48(78)43(73)46(76)50(90-55)53(79)80/h1-15,33-35,39-48,50-52,54-59,69-78H,16-18H2,(H7-,60,61,62,63,64,65,66,67,68,79,80)/p+1/t33-,34-,35-,39-,40+,41-,42+,43+,44+,45+,46+,47-,48-,50+,51-,52-,54-,55-,56-,57+/m1/s1
InChIKeyDMJFLJSLHRVCBA-YGQRQUBESA-O
ChEBI Ontology
Outgoing Relation(s)
Anemone blue anthocyanin 1 (CHEBI:31216) is a anthocyanidin glycoside (CHEBI:71583)
Synonym  Source
Anemone blue anthocyanin 1KEGG COMPOUND
Manual XrefsDatabases
C12130KEGG COMPOUND