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 [C@@H]1(O[C@@H](C[C@]21[C@@H]1[C@@](C[C@H]([C@H]2C)OC(=O)C)([C@]2([C@@H](CC1)O2)C)C)c1cocc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
PlantaeEuphorbiaceaeCroton eluteria Ref.
zoom in