input word = C00044376

Metabolite InformationStructural formula
Name Vilmorinine B
(+)-Vilmorinine B
Formula C21H26O8
Mw 406.16276781
CAS RN 211802-14-1
C_ID C00044376 ,
InChIKey ZJNSIEYWGJEPNH-FEEDZNQBNA-N
InChICode InChI=1S/C21H26O8/c1-9-5-13(22)17(24)20(3)11(9)6-14-21(8-28-19(26)16(20)21)12(7-15(23)27-4)10(2)18(25)29-14/h5,10-12,14,16-17,24H,6-8H2,1-4H3/t10-,11+,12+,14-,16-,17-,20+,21-/m1/s1
SMILES COC(=O)C[C@H]1[C@@H](C)C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3C(=O)OC[C@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus vilmoriniana Ref.
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