input word = C00011857

Metabolite InformationStructural formula
Name Vernopectolide B
Formula C19H22O6
Mw 346.14163844
CAS RN 62687-47-2
C_ID C00011857 ,
InChIKey MPDLVXQTORTGFB-FHJJGCQINA-N
InChICode InChI=1S/C19H22O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8-9,15-17,21H,1,3-4,6-7,10H2,2H3/b13-5-,14-8-/t15-,16+,17+/m0/s1
SMILES C1C/C(=C/[C@@H]2[C@@H]([C@H](C/C(=C\1)/C=O)OC(=O)C(=C)C)C(=C)C(=O)O2)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia pectoralis Ref.
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