input word = C00014767

Metabolite InformationStructural formula
Name Cyanidin-3-(2'-acetylrutinoside)
Formula C29H33O16
Mw 637.17686001
CAS RN 259813-57-5
C_ID C00014767 ,
InChIKey UWZBELLXMNIONJ-KAKIQZFINA-O
InChICode InChI=1S/C29H32O16/c1-10-21(35)24(38)27(42-11(2)30)29(41-10)40-9-20-22(36)23(37)25(39)28(45-20)44-19-8-14-16(33)6-13(31)7-18(14)43-26(19)12-3-4-15(32)17(34)5-12/h3-8,10,20-25,27-29,35-39H,9H2,1-2H3,(H3-,31,32,33,34)/p+1/t10-,20+,21-,22+,23-,24+,25+,27-,28+,29+/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)C)O)O)OC(=O)C)O)O)O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeTulipa spp. Ref.
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OrganismTulipa spp.
ReferenceTorskangerpoll,Phytochem.,52,(1999),1687