input word = C00037021

Metabolite InformationStructural formula
Name Delphinidin-3,5-O-diglucoside
Delphinidin 3,5-O-diglucoside
Delphinidin 3,5-di-O-beta-D-glucoside
Formula C27H31O17
Mw 627.15612457
CAS RN 47851-70-7
C_ID C00037021 ,
InChIKey XCTGXGVGJYACEI-XZAKRIFZNA-O
InChICode InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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