input word = C00014774

Metabolite InformationStructural formula
Name Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside)
Formula C56H59O30
Mw 1211.30911555
CAS RN 799854-19-6
C_ID C00014774 ,
InChIKey ANYMKWHMWQBQSY-LZYUSDGQNA-O
InChICode InChI=1S/C56H58O30/c1-75-33-13-23(3-8-28(33)57)5-11-41(63)77-20-37-44(66)47(69)50(72)54(84-37)80-26-16-31(60)27-18-36(83-56-52(74)49(71)46(68)39(86-56)22-79-43(65)19-40(61)62)53(81-32(27)17-26)25-7-10-30(59)35(15-25)82-55-51(73)48(70)45(67)38(85-55)21-78-42(64)12-6-24-4-9-29(58)34(14-24)76-2/h3-18,37-39,44-52,54-56,66-74H,19-22H2,1-2H3,(H4-,57,58,59,60,61,62,63,64)/p+1/t37-,38+,39-,44-,45-,46-,47-,48-,49-,50+,51+,52-,54+,55+,56+/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)c1cc(c(cc1)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)/C=C\c1cc(c(cc1)O)OC)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeVanda spp. Ref.
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