input word = C00056337

Metabolite InformationStructural formula
Name 1-(3,4-Dihydroxy-5-methoxycinnamoyl)-2'-feruloylgentiobiose
Formula C32H38O18
Mw 710.20581441
CAS RN 1010691-96-9
C_ID C00056337
InChIKey FYXRVAYHTPAJJB-KRJHPZFMSA-N
InChICode InChI=1S/C32H38O18/c1-44-18-10-14(3-6-16(18)33)4-7-22(35)46-12-20-25(38)27(40)29(42)31(48-20)47-13-21-26(39)28(41)30(43)32(49-21)50-23(36)8-5-15-9-17(34)24(37)19(11-15)45-2/h3-11,20-21,25-34,37-43H,12-13H2,1-2H3/b7-4+,8-5+/t20-,21-,25-,26-,27+,28+,29-,30-,31-,32+/m1/s1
SMILES COC1=CC(/C=C/C(O[C@@H]2O[C@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4=CC=C(O)C(OC)=C4)=O)O3)[C@@H](O)[C@H](O)[C@H]2O)=O)=CC(O)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
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OrganismWasabia japonica
ReferenceHaworth, W.N. et al., JCS, 1923, 3120-3125 (struct)