input word = C00045255

Metabolite InformationStructural formula
Name Cascarillin G
(+)-Cascarillin G
Formula C24H32O8
Mw 448.209718
CAS RN 453517-75-4
C_ID C00045255 ,
InChIKey UIEULHLNJMJHQZ-QIBZKEDUNA-N
InChICode InChI=1S/C24H32O8/c1-12-19(29-13(2)25)20(30-14(3)26)22(4)17(6-7-18-23(22,5)32-18)24(12)10-16(31-21(24)27)15-8-9-28-11-15/h8-9,11-12,16-21,27H,6-7,10H2,1-5H3/t12-,16+,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1
SMILES CC(=O)O[C@H]1[C@@H](C)[C@]2(CC(c3ccoc3)O[C@@H]2O)[C@H]2CC[C@H]3O[C@@]3(C)[C@]2(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eluteria Ref.
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OrganismCroton eluteria
ReferenceVigor,J.Nat.Prod.,65,(2002),1180