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 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]1OC)c1ccoc1)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eluteria Ref.
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