input word = C00036882

Metabolite InformationStructural formula
Name Cascarillin C
(-)-Cascarillin C
Formula C22H30O5
Mw 374.20932407
CAS RN 366477-62-5
C_ID C00036882 ,
InChIKey IHBGLDMSFNUTEZ-DULUHZOCNA-N
InChICode InChI=1S/C22H30O5/c1-13-6-5-7-19-21(13,4)10-17(26-15(3)23)14(2)22(19)11-18(27-20(22)24)16-8-9-25-12-16/h6,8-9,12,14,17-20,24H,5,7,10-11H2,1-4H3/t14-,17-,18+,19+,20+,21+,22-/m1/s1
SMILES [C@@H]1([C@H]([C@@]2([C@@H]3[C@@](C1)(C(=CCC3)C)C)C[C@H](O[C@@H]2O)c1cocc1)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
PlantaeEuphorbiaceaeCroton eluteria Bennett Ref.
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