input word = C00006643

Metabolite InformationStructural formula
Name Pelargonidin 3-(2G-xylosylrutinoside)
Formula C32H39O18
Mw 711.21363945
CAS RN
C_ID C00006643 ,
InChIKey HIIZINPYIPHUJY-RYHGMRQRNA-O
InChICode InChI=1S/C32H38O18/c1-11-21(37)24(40)27(43)30(46-11)45-10-20-23(39)25(41)29(50-31-26(42)22(38)17(36)9-44-31)32(49-20)48-19-8-15-16(35)6-14(34)7-18(15)47-28(19)12-2-4-13(33)5-3-12/h2-8,11,17,20-27,29-32,36-43H,9-10H2,1H3,(H2-,33,34,35)/p+1/t11-,17-,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)C)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia spp. Ref.
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