input word = C00014762

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-(Z)-caffeylsambubioside)
Formula C35H35O18
Mw 743.18233932
CAS RN 169210-09-7
C_ID C00014762 ,
InChIKey XGQPXBKBCOHIQI-LFIRYDKXNA-O
InChICode InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/p+1/t23-,26+,28-,29+,30-,31-,33+,34-,35+/m0/s1
SMILES O=C(/C=Cc1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia spp. Ref.
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