input word = C00012342

Metabolite InformationStructural formula
Name Ineupatorolide B
Nepalolide C
Formula C20H28O6
Mw 364.18858863
CAS RN 75102-68-0
C_ID C00012342 ,
InChIKey FPXHAHZGQPOGBX-HRWOOIQENA-N
InChICode InChI=1S/C20H28O6/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/h6,12,14,16-17,24H,4,7-10H2,1-3,5H3/b11-6-/t12-,14+,16+,17-,20+/m1/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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