input word = C00014843

Metabolite InformationStructural formula
Name Pelargonidin 3-(2'-acetylrutinoside)
Formula C29H33O15
Mw 621.18194539
CAS RN 259813-58-6
C_ID C00014843 ,
InChIKey NCPSRVVXVGOYED-CDXJOJNRNA-O
InChICode InChI=1S/C29H32O15/c1-11-21(34)24(37)27(41-12(2)30)29(40-11)39-10-20-22(35)23(36)25(38)28(44-20)43-19-9-16-17(33)7-15(32)8-18(16)42-26(19)13-3-5-14(31)6-4-13/h3-9,11,20-25,27-29,34-38H,10H2,1-2H3,(H2-,31,32,33)/p+1/t11-,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)c1ccc(cc1)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