input word = C00006916

Metabolite InformationStructural formula
Name Delphinidin 3-(6''-malonylsambubioside)
Formula C29H31O19
Mw 683.14595381
CAS RN 178275-91-7
C_ID C00006916 ,
InChIKey QYSFQBVCEXFFIK-ZFPVHAMBNA-O
InChICode InChI=1S/C29H30O19/c30-10-3-12(31)11-5-17(26(45-16(11)4-10)9-1-13(32)21(38)14(33)2-9)46-29-27(48-28-25(42)22(39)15(34)7-44-28)24(41)23(40)18(47-29)8-43-20(37)6-19(35)36/h1-5,15,18,22-25,27-29,34,39-42H,6-8H2,(H5-,30,31,32,33,35,36,38)/p+1/t15-,18-,22+,23-,24-,25-,27+,28+,29-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus asiaticus Ref.
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