input word = C00020447

Metabolite InformationStructural formula
Name Crepiside D
Formula C21H28O9
Mw 424.17333249
CAS RN 100187-62-0
C_ID C00020447 ,
InChIKey KOSOMLUNTQWAHO-HTBJBHPLNA-N
InChICode InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-11,13-19,21-26H,1,3-6H2,2H3/t10-,11-,13+,14-,15+,16+,17-,18+,19-,21+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C[C@H]3C(=C)C[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepis japonica Ref.
PlantaeAsteraceaeYoungia japonica Ref.
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