input word = C00041688

Metabolite InformationStructural formula
Name Neobritannilactone A
Formula C17H26O5
Mw 310.17802394
CAS RN 886989-99-7
C_ID C00041688 ,
InChIKey URCJMQGGAZJGGL-FSOOOWPVNA-N
InChICode InChI=1S/C17H26O5/c1-10(6-5-7-21-12(3)18)14-8-13-11(2)16(19)22-15(13)9-17(14,4)20/h8,10-11,13,15,20H,5-7,9H2,1-4H3/t10-,11-,13+,15+,17+/m0/s1
SMILES CC(=O)OCCC[C@H](C)C1=C[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula britannica var.chinensis Ref.
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