input word = C00044379

Metabolite InformationStructural formula
Name Vilmorinine E
(-)-Vilmorinine E
Formula C20H24O8
Mw 392.14711774
CAS RN 211802-43-6
C_ID C00044379 ,
InChIKey HEARPDWGNHOTSL-UCDCAEFONA-N
InChICode InChI=1S/C20H24O8/c1-8-4-12(21)16(24)19(3)10(8)5-13-20(7-27-18(26)15(19)20)11(6-14(22)23)9(2)17(25)28-13/h4,9-11,13,15-16,24H,5-7H2,1-3H3,(H,22,23)/t9-,10-,11+,13-,15-,16-,19+,20-/m1/s1
SMILES CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](C)[C@H](CC(=O)O)[C@]13COC(=O)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus vilmoriniana Ref.
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OrganismAilanthus vilmoriniana
ReferenceTakeya,Phytochem.,48,(1998),565