input word = C00008650

Metabolite InformationStructural formula
Name Kushenol I
Formula C26H30O7
Mw 454.19915331
CAS RN 99119-69-4
C_ID C00008650 ,
InChIKey QKEDJCCCNZWOBS-YLASZFDGNA-N
InChICode InChI=1S/C26H30O7/c1-13(2)6-7-15(14(3)4)10-18-20(29)12-21(32-5)22-23(30)24(31)26(33-25(18)22)17-9-8-16(27)11-19(17)28/h6,8-9,11-12,15,24,26-29,31H,3,7,10H2,1-2,4-5H3/t15-,24-,26-/m1/s1
SMILES c1c(c2c(c(c1O)C[C@H](C(=C)C)CC=C(C)C)O[C@@H]([C@@H](C2=O)O)c1ccc(cc1O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora flavescens Ref.
PlantaeGentianaceaeGentiana straminea Ref.
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