input word = C00045253

Metabolite InformationStructural formula
Name Cascarillin E
(+)-Cascarillin E
Formula C23H34O7
Mw 422.23045344
CAS RN 453517-73-2
C_ID C00045253 ,
InChIKey QKNYLJSOBMZFPQ-VCRSPXFUNA-N
InChICode InChI=1S/C23H34O7/c1-13-16(29-14(2)24)10-21(3)18(6-7-19(25)22(21,4)26)23(13)11-17(30-20(23)27-5)15-8-9-28-12-15/h8-9,12-13,16-20,25-26H,6-7,10-11H2,1-5H3/t13-,16-,17-,18+,19-,20+,21-,22-,23+/m1/s1
SMILES CO[C@H]1O[C@@H](c2ccoc2)C[C@]12[C@H](C)[C@H](OC(C)=O)C[C@]1(C)[C@@H]2CC[C@@H](O)[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eluteria Ref.
zoom in