input word = C00006915

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-malonylsambubioside)
Formula C29H31O18
Mw 667.15103919
CAS RN 178275-90-6
C_ID C00006915 ,
InChIKey UHWGTKOMYAVSDE-MFUVEPTONA-O
InChICode InChI=1S/C29H30O18/c30-11-4-14(32)12-6-18(26(44-17(12)5-11)10-1-2-13(31)15(33)3-10)45-29-27(47-28-25(41)22(38)16(34)8-43-28)24(40)23(39)19(46-29)9-42-21(37)7-20(35)36/h1-6,16,19,22-25,27-29,34,38-41H,7-9H2,(H4-,30,31,32,33,35,36)/p+1/t16-,19+,22-,23+,24+,25-,27-,28+,29+/m0/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus asiaticus Ref.
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OrganismRanunculus asiaticus
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Toki,Phytochem.,42,(1996),1055