input word = C00003384

Metabolite InformationStructural formula
Name Vernodalin
Formula C19H20O7
Mw 360.12090299
CAS RN 21871-10-3
C_ID C00003384 ,
InChIKey ZSXNBLOPYIJLQV-IIKQAUMUNA-N
InChICode InChI=1S/C19H20O7/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/h5,12-15,20H,1-4,6-8H2/t12-,13+,14+,15-,19-/m0/s1
SMILES O1C(=O)C(=C)[C@H]2[C@](C1)(C[C@@H]([C@@H]1[C@@H]2OC(=O)C1=C)OC(=O)C(=C)CO)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDistephanus angulifolius Ref.
PlantaeAsteraceaeVernonia amygdalina Ref.
PlantaeAsteraceaeVernonia esculenta Ref.
PlantaeAsteraceaeVernonia guineensis Ref.
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OrganismVernonia guineensis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51