input word = C00054474

Metabolite InformationStructural formula
Name 6-Acetyl-3',6'-di-p-coumaroylsucrose
Formula C32H36O16
Mw 676.20033511
CAS RN 761447-92-1
C_ID C00054474
InChIKey XWPYLMJVXBTESZ-KLBZKRHISA-N
InChICode InChI=1S/C32H36O16/c1-17(34)43-14-22-26(39)28(41)29(42)31(45-22)48-32(16-33)30(46-25(38)13-7-19-4-10-21(36)11-5-19)27(40)23(47-32)15-44-24(37)12-6-18-2-8-20(35)9-3-18/h2-13,22-23,26-31,33,35-36,39-42H,14-16H2,1H3/b12-6+,13-7+/t22-,23-,26-,27-,28+,29-,30+,31+,32+/m1/s1
SMILES O=C(C)OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@]2(CO)O[C@H](COC(/C=C/C3=CC=C(O)C=C3)=O)[C@@H](O)[C@@H]2OC(/C=C/C4=CC=C(O)C=C4)=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannaceaeCanna edulis Ref.
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