input word = C00045254

Metabolite InformationStructural formula
Name Cascarillin F
(+)-Cascarillin F
Formula C22H32O7
Mw 408.21480338
CAS RN 453517-74-3
C_ID C00045254 ,
InChIKey GZVVOAJUBYETCL-NOJUUIBUNA-N
InChICode InChI=1S/C22H32O7/c1-12-15(28-13(2)23)9-20(3)17(5-6-18(24)21(20,4)26)22(12)10-16(29-19(22)25)14-7-8-27-11-14/h7-8,11-12,15-19,24-26H,5-6,9-10H2,1-4H3/t12-,15-,16-,17+,18-,19+,20-,21-,22-/m1/s1
SMILES C1[C@H]([C@@]([C@]2([C@H](C1)[C@]1([C@@H]([C@@H](C2)OC(=O)C)C)C[C@@H](O[C@@H]1O)c1ccoc1)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eluteria Ref.
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