input word = C00014415

Metabolite InformationStructural formula
Name Neosmitilbin
(2S,3S)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside
Formula C21H22O11
Mw 450.11621155
CAS RN 452962-93-5
C_ID C00014415 ,
InChIKey HBHVCPGEAYWNOG-YCPNPGHANA-N
InChICode InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18-,19+,20+,21-/m0/s1
SMILES CC1O[C@@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2cc(O)cc(O)c2)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax glabra Ref.
zoom in