input word = C00012341

Metabolite InformationStructural formula
Name Ineupatorolide A
Formula C20H30O6
Mw 366.20423869
CAS RN 75102-67-9
C_ID C00012341 ,
InChIKey OVXUCZUDXTYPCU-QWXSVMNHNA-N
InChICode InChI=1S/C20H30O6/c1-6-11(2)18(22)26-17-16-14(13(4)19(23)25-16)10-15(21)12(3)8-7-9-20(17,5)24/h11-12,14,16-17,24H,4,6-10H2,1-3,5H3/t11-,12+,14-,16-,17+,20-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@@H](OC(=O)C(C)CC)[C@@](C)(O)CCC[C@@H](C)C(=O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula eupatorioides Ref.
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