CHEBI:5319 - Gentiodelphin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gentiodelphin
ChEBI ID CHEBI:5319
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C51H53O28
Net Charge +1
Average Mass 1113.952
Monoisotopic Mass 1113.27179
InChI InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1
InChIKey CMHKKALEZOJWDP-JXKRDHHRSA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O[C@@H]3O[C@H](COC(=O)\C=C\c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Gentiodelphin (CHEBI:5319) is a anthocyanidin glycoside (CHEBI:71583)
Synonym Source
Gentiodelphin KEGG COMPOUND
Manual Xrefs Databases
C00002379 KNApSAcK
C08641 KEGG COMPOUND
View more database links
Registry Number Type Source
84331-34-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014