input word = C00011192

Metabolite InformationStructural formula
Name Delphinidin 3,5-diglucoside-6''-O-4, 6'''-O-1-cyclic-malyl diester
Formula C31H33O20
Mw 725.1565185
CAS RN 592522-39-9
C_ID C00011192 ,
InChIKey LGNIUXIDANCKFR-GAXDWBGCNA-O
InChICode InChI=1S/C31H32O20/c32-10-3-15-11-5-17(28(47-15)9-1-12(33)21(37)13(34)2-9)49-31-27(43)24(40)22(38)18(50-31)7-45-20(36)6-14(35)29(44)46-8-19-23(39)25(41)26(42)30(51-19)48-16(11)4-10/h1-5,14,18-19,22-27,30-31,35,38-43H,6-8H2,(H3-,32,33,34,37)/p+1/t14-,18-,19-,22-,23-,24+,25+,26-,27-,30-,31-/m0/s1
SMILES O=C1CC(O)C(=O)OC[C@@H]2O[C@H](Oc3cc(O)cc4[o+]c(-c5cc(O)c(O)c(O)c5)c(cc34)OC3O[C@@H](CO1)[C@H](O)C(O)[C@@H]3O)[C@@H](O)C(O)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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