input word = C00012061

Metabolite InformationStructural formula
Name 11,13-Dihydrovernodalin
Formula C19H22O7
Mw 362.13655306
CAS RN 89354-71-2
C_ID C00012061 ,
InChIKey YWLGRTPMZJKCHR-QCHBWWFNNA-N
InChICode InChI=1S/C19H22O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,10,12-15,20H,1-2,4,6-8H2,3H3/t10-,12-,13+,14+,15-,19-/m0/s1
SMILES C1[C@]2([C@H](C(=C)C(=O)O1)[C@@H]1[C@@H]([C@H](C2)OC(=O)C(=C)CO)[C@@H](C(=O)O1)C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia amygdalina Ref.
PlantaePlantaginaceaeVeronica amygdalina Ref.
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