input word = C00003367

Metabolite InformationStructural formula
Name Scorpioidin
Formula C16H20O4
Mw 276.13615913
CAS RN 76045-40-4
C_ID C00003367 ,
InChIKey OXZSJXCNOUZXAQ-UUYMQLJKNA-N
InChICode InChI=1S/C16H20O4/c1-10-5-4-6-12(16(18)19-3)7-8-13-11(2)15(17)20-14(13)9-10/h5,7,13-14H,2,4,6,8-9H2,1,3H3/b10-5+,12-7-/t13-,14+/m1/s1
SMILES C\1=C(/C[C@H]2[C@H](C/C=C(/CC1)\C(=O)OC)C(=C)C(=O)O2)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia scorpioides Ref.
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OrganismVernonia scorpioides
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51