input word = C00050313

Metabolite InformationStructural formula
Name Vilmorinine A
(+)-Vilmorinine A
Formula C20H24O9
Mw 408.14203237
CAS RN 190776-22-8
C_ID C00050313 ,
InChIKey DZBLDANEFRTEAG-KHXVHKSQNA-N
InChICode InChI=1S/C20H24O9/c1-8-4-12(21)20(27)18(3)10(8)5-13(29-20)19(7-28-17(26)15(18)19)11(6-14(22)23)9(2)16(24)25/h4,9-11,13,15,27H,5-7H2,1-3H3,(H,22,23)(H,24,25)/t9-,10-,11+,13-,15-,18?,19-,20+/m1/s1
SMILES C1(=CC(=O)[C@]2([C@@]3([C@@H]1C[C@@H](O2)[C@]1([C@@H]3C(=O)OC1)[C@H]([C@@H](C)C(=O)O)CC(=O)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus vilmoriniana Ref.
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