input word = C00009023

Metabolite InformationStructural formula
Name Leucodelphinidin 4-O-[2,4-bisgalloyl-6-(3-galloylgalloyl)-beta-D-glucopyranoside]
Formula C49H40O29
Mw 1092.16552532
CAS RN 90538-78-6
C_ID C00009023 ,
InChIKey ZLWKLFDDRCSZNM-GCOQBOAUNA-N
InChICode InChI=1S/C49H40O29/c50-19-11-20(51)33-30(12-19)73-41(14-1-21(52)34(61)22(53)2-14)39(66)43(33)78-49-44(77-48(71)17-7-27(58)37(64)28(59)8-17)40(67)42(76-47(70)16-5-25(56)36(63)26(57)6-16)32(75-49)13-72-45(68)18-9-29(60)38(65)31(10-18)74-46(69)15-3-23(54)35(62)24(55)4-15/h1-12,32,39-44,49-67H,13H2/t32-,39+,40+,41+,42-,43-,44-,49+/m1/s1
SMILES c1(cc(c2c(c1)O[C@H]([C@@H]([C@@H]2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia leucophloea Ref.
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