input word = C00006691

Metabolite InformationStructural formula
Name Peonidin 3-sophoroside-5-glucoside
Formula C34H43O21
Mw 787.22968344
CAS RN 81360-22-7
C_ID C00006691 ,
InChIKey JRZVFIAPPQXNCE-WRMYEPKONA-O
InChICode InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,31+,32-,33+,34-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
PlantaeConvolvulaceaeIpomoea nil Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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