input word = C00057628

Metabolite InformationStructural formula
Name 2-Phenylethyl D-rutinoside
Phenethyl rutinoside
Formula C20H30O10
Mw 430.18389718
CAS RN 88510-08-1
C_ID C00057628
InChIKey BPCSUHDJRATFGO-UJBZIIBZSA-N
InChICode InChI=1S/C21H32O9/c1-11-15(22)18(25)20(27)21(29-11)28-10-14-17(24)19(26)16(23)13(30-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13-27H,5,8-10H2,1H3/t11-,13-,14+,15-,16-,17+,18+,19+,20+,21+/m0/s1
SMILES C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](CCCC3=CC=CC=C3)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum sarmentosum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeRutaceaeCitrus unshiu Ref.
zoom in