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 Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bracteata Ref.
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