input word = C00055537

Metabolite InformationStructural formula
Name 1-O-Cinnamoyl-beta-D-gentiobiose
Formula C21H28O12
Mw 472.15807636
CAS RN 181373-65-9
C_ID C00055537
InChIKey VFNCMPJNJCOCMS-KLZQJKIXSA-N
InChICode InChI=1S/C21H28O12/c22-8-11-14(24)16(26)18(28)20(31-11)30-9-12-15(25)17(27)19(29)21(32-12)33-13(23)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-22,24-29H,8-9H2/b7-6+/t11-,12-,14-,15-,16+,17+,18-,19-,20-,21+/m1/s1
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(/C=C/C3=CC=CC=C3)=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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