input word = C00006670

Metabolite InformationStructural formula
Name Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside]
Formula C32H39O20
Mw 743.20346869
CAS RN
C_ID C00006670 ,
InChIKey RAHCBDLMLRVOBZ-VOMFRYODNA-O
InChICode InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t16-,19+,20-,21-,22+,23-,24-,25-,26-,27-,29-,30+,31+,32-/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAnthriscus sylvestris Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeApiaceaeDaucus glochidiatus Ref.
PlantaeApiaceaeDaucus pusillus Ref.
PlantaeApiaceaeOenanthe crocata Ref.
PlantaeApiaceaeTorilis leptophylla Ref.
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