input word = C00034326

Metabolite InformationStructural formula
Name trans-Scirpusin A
Formula C28H22O7
Mw 470.13655306
CAS RN 483363-91-3
C_ID C00034326 ,
InChIKey VJVQHVVOEFJLIO-XONQPWEHNA-N
InChICode InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+/t27-,28+/m0/s1
SMILES c1c(cc2c(c1/C=C/c1ccc(cc1)O)[C@@H]([C@H](O2)c1ccc(c(c1)O)O)c1cc(cc(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bracteata Ref.
zoom in