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 C=C(C)C(=O)O[C@H]1C/C(C=O)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia pectoralis Ref.
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OrganismVernonia pectoralis
ReferenceMompon,Tetrahedron,32,(1976),2545