input word = C00037755

Metabolite InformationStructural formula
Name Rouyolide E
(+)-Rouyolide E
Formula C25H34O8
Mw 462.22536806
CAS RN 613221-05-9
C_ID C00037755 ,
InChIKey XYXAYBUVLPKFTC-QPGNOEIVNA-N
InChICode InChI=1S/C25H34O8/c1-8-13(3)20(26)30-18-17-15(29-22(28)25(17,7)33-21(27)14(4)9-2)12-24(6)16(31-24)10-11-23(5)19(18)32-23/h8-9,15-19H,10-12H2,1-7H3/b13-8-,14-9-/t15-,16-,17+,18+,19+,23+,24+,25-/m1/s1
SMILES [C@H]12[C@](C[C@@H]3[C@@H]([C@@H]([C@H]4[C@](CC1)(O4)C)OC(=O)/C(=C\C)/C)[C@@](C(=O)O3)(C)OC(=O)/C(=C\C)/C)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeRouya polygama Coincy Ref.
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