input word = C00020445

Metabolite InformationStructural formula
Name Episolstitiolide
Formula C19H23ClO7
Mw 398.1132308
CAS RN 95602-95-2
C_ID C00020445 ,
InChIKey VPRUEYOIZZTFET-OAPYLBMONA-N
InChICode InChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3)7-25-18)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14,24)6-20/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15+,18+,19+/m0/s1
SMILES C1(=O)O[C@@H]2[C@H](C1=C)[C@H](CC(=C)[C@H]1[C@@H]2[C@@]([C@H](C1)O)(O)CCl)OC(=O)[C@]1(C)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea solstitialis Ref.
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