input word = C00049939

Metabolite InformationStructural formula
Name 2'-Epicycloisobrachycoumarinone epoxide
(-)-2'-Epicycloisobrachycoumarinone epoxide
Formula C20H22O5
Mw 342.14672381
CAS RN 190062-43-2
C_ID C00049939 ,
InChIKey QMWJPFXMOOPDTD-WFWWBOSANA-N
InChICode InChI=1S/C20H22O5/c1-10-7-6-8-13-14(10)16-15(18(22)24-13)20(5,11(2)23-16)9-12(21)17-19(3,4)25-17/h6-8,11,17H,9H2,1-5H3/t11-,17+,20+/m0/s1
SMILES c12c(c(=O)oc3c1c(ccc3)C)[C@@]([C@@H](O2)C)(CC(=O)[C@@H]1C(O1)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia brachycalyx Ref.
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