input word = C00013564

Metabolite InformationStructural formula
Name Delphinidin 3-gentiobioside
Formula C27H31O17
Mw 627.15612457
CAS RN 55169-25-0
C_ID C00013564 ,
InChIKey WIIMVXRNTVGXEQ-SEGDPCCQNA-O
InChICode InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES c12c([o+]c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O)cc(cc2O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEugenia jambolana Ref.
PlantaePontederiaceaeEichhornia crassipes Ref.
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