input word = C00045256

Metabolite InformationStructural formula
Name Cascarillin H
(-)-Cascarillin H
Formula C22H30O6
Mw 390.20423869
CAS RN 453517-76-5
C_ID C00045256 ,
InChIKey UFRAGMCRABEBKP-GEGZFEMDNA-N
InChICode InChI=1S/C22H30O6/c1-12-15(26-13(2)23)9-20(3)17(5-6-18-21(20,4)28-18)22(12)10-16(27-19(22)24)14-7-8-25-11-14/h7-8,11-12,15-19,24H,5-6,9-10H2,1-4H3/t12-,15-,16+,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@@]2(CC(c3ccoc3)O[C@@H]2O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
PlantaeEuphorbiaceaeCroton eluteria Ref.
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