input word = C00006662

Metabolite InformationStructural formula
Name Cyanidin 3-(2''-glucuronosylglucoside)
Formula C27H29O17
Mw 625.1404745
CAS RN
C_ID C00006662 ,
InChIKey QLKOQFLYESIQLL-VIOIDINSNA-O
InChICode InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p+1/t16-,17-,18+,19+,20+,21-,23+,24+,26+,27-/m1/s1
SMILES O=C(O)C1O[C@@H](OC2C(O)[C@H](O)C(CO)O[C@H]2Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBellis perennis Ref.
PlantaeAsteraceaeHelenium autumnale Ref.
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