input word = C00012139

Metabolite InformationStructural formula
Name Vernopectolide A
Formula C21H26O8
Mw 406.16276781
CAS RN 62687-46-1
C_ID C00012139 ,
InChIKey OYWLTVRYTDIQRM-YHZIAAJXNA-N
InChICode InChI=1S/C21H26O8/c1-11(2)19(24)28-16-8-21(10-26-13(4)23)17(29-21)6-5-14(9-22)7-15-18(16)12(3)20(25)27-15/h7,15-18,22H,1,3,5-6,8-10H2,2,4H3/b14-7-/t15-,16+,17-,18+,21-/m1/s1
SMILES C1C/C(=C/[C@@H]2[C@@H]([C@H](C[C@]3([C@@H]1O3)COC(=O)C)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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