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 c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus asiaticus Ref.
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