input word = C00008468

Metabolite InformationStructural formula
Name Gancaonin E
Formula C25H28O6
Mw 424.18858863
CAS RN 124596-89-0
C_ID C00008468 ,
InChIKey HCBKENVWCDLQOA-UHFFFAOYNA-N
InChICode InChI=1S/C25H28O6/c1-13(2)5-7-15-9-16(10-21(29)24(15)30)22-12-20(28)23-19(27)11-18(26)17(25(23)31-22)8-6-14(3)4/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3/t22-/m0/s1
SMILES c1c(c2c(c(c1O)CC=C(C)C)O[C@@H](CC2=O)c1cc(c(c(c1)O)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeSchoenus nigricans Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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