input word = C00006759

Metabolite InformationStructural formula
Name Palargonidin 3-(6''-malonylsophoroside)
Formula C30H33O18
Mw 681.16668925
CAS RN 79504-28-2
C_ID C00006759 ,
InChIKey XTJQZPLDJBNHHN-GEICCTRTNA-O
InChICode InChI=1S/C30H32O18/c31-9-18-22(38)24(40)26(42)29(46-18)48-28-25(41)23(39)19(10-43-21(37)8-20(35)36)47-30(28)45-17-7-14-15(34)5-13(33)6-16(14)44-27(17)11-1-3-12(32)4-2-11/h1-7,18-19,22-26,28-31,38-42H,8-10H2,(H3-,32,33,34,35,36)/p+1/t18-,19+,22+,23+,24-,25+,26+,28+,29-,30+/m0/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver nudicaule Ref.
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OrganismPapaver nudicaule
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Cornuz,Phytochem.,20,(1981),1461