input word = C00011107

Metabolite InformationStructural formula
Name Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside
Formula C30H27O14
Mw 611.14008057
CAS RN 339080-03-4
C_ID C00011107 ,
InChIKey DHTPVCYNNWQRMN-PHDNWJQKNA-O
InChICode InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30+/m0/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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