input word = C00036881

Metabolite InformationStructural formula
Name Cascarillin B
(-)-Cascarillin B
Formula C22H28O6
Mw 388.18858863
CAS RN 366477-61-4
C_ID C00036881 ,
InChIKey KGCOURSVJRGFJH-XPPVVMGMNA-N
InChICode InChI=1S/C22H28O6/c1-13-17(27-14(2)24)10-20(3)18(5-6-19-21(20,4)28-19)22(13,12-23)9-16(25)15-7-8-26-11-15/h7-8,11-13,17-19H,5-6,9-10H2,1-4H3/t13-,17-,18+,19-,20-,21-,22-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@](C=O)(CC(=O)c2ccoc2)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
PlantaeEuphorbiaceaeCroton eluteria Bennett Ref.
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