input word = C00002726

Metabolite InformationStructural formula
Name 4'-Cinnamoylmussatioside
Formula C34H44O16
Mw 708.26293536
CAS RN 110219-94-8
C_ID C00002726 ,
InChIKey YQECXCJMTXVAQP-RGPNMVKPNA-N
InChICode InChI=1S/C34H44O16/c1-17-30(49-23(37)12-9-18-5-3-2-4-6-18)31(50-33-27(41)24(38)21(36)15-45-33)29(43)34(47-17)46-16-22-25(39)26(40)28(42)32(48-22)44-14-13-19-7-10-20(35)11-8-19/h2-12,17,21-22,24-36,38-43H,13-16H2,1H3/b12-9+/t17-,21-,22-,24-,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@@H](O[C@@H]1CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)OC(=O)/C=C/c1ccccc1)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)OCCc1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeMussatia spp. Ref.
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