input word = C00045257

Metabolite InformationStructural formula
Name Cascarillin I
(+)-Cascarillin I
Formula C24H32O7
Mw 432.21480338
CAS RN 453517-77-6
C_ID C00045257 ,
InChIKey VUPLMTRSSLQGTH-AVMXSWRWNA-N
InChICode InChI=1S/C24H32O7/c1-13-17(28-14(2)25)10-22(4)19(6-7-20-23(22,5)31-20)24(13)11-18(16-8-9-27-12-16)30-21(24)29-15(3)26/h8-9,12-13,17-21H,6-7,10-11H2,1-5H3/t13-,17-,18-,19+,20-,21+,22-,23-,24-/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)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
PlantaeEuphorbiaceaeCroton eluteria Ref.
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OrganismCroton eleuteria
ReferenceVigor,C.et al.,J.Nat.Prod.,65,(2002),1180-1182