input word = C00046103

Metabolite InformationStructural formula
Name Macrophyllic acid B
(-)-Macrophyllic acid B
Formula C15H22O3
Mw 250.15689457
CAS RN 275797-77-8
C_ID C00046103 ,
InChIKey OKSWDWBXHMOVCG-FFUBKVJCNA-N
InChICode InChI=1S/C15H22O3/c1-11-4-3-8-14(2)9-7-12(5-6-13(16)17)10-15(11,14)18/h5-6,12,18H,1,3-4,7-10H2,2H3,(H,16,17)/b6-5+/t12-,14-,15+/m1/s1
SMILES C1CC[C@]2([C@@](C1=C)(C[C@@H](CC2)/C=C/C(=O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula macrophylla Ref.
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