input word = C00041308

Metabolite InformationStructural formula
Name Acetyl neobritannilactone B
Formula C17H22O4
Mw 290.15180919
CAS RN 97452-17-0
C_ID C00041308 ,
InChIKey UPNVKIZABMRHNR-DUYWSNJENA-N
InChICode InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6-,11-9+/t14-,15+,16+/m0/s1
SMILES C=C1C(=O)O[C@H]2/C=C(C)CC/C=C(/C)C[C@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula britannica var.chinensis Ref.
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