input word = C00046106

Metabolite InformationStructural formula
Name Macrophyllic acid E
(+)-Macrophyllic acid E
Formula C15H22O3
Mw 250.15689457
CAS RN 275797-80-3
C_ID C00046106 ,
InChIKey CZFYTAOSDOKUHD-POYVUMIONA-N
InChICode InChI=1S/C15H22O3/c1-13-7-3-8-14(2)15(13,18-14)10-11(6-9-13)4-5-12(16)17/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)/b5-4+/t11-,13-,14-,15+/m1/s1
SMILES [C@H]1(CC[C@@]2([C@@]3(C1)[C@@](CCC2)(O3)C)C)/C=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula macrophylla Ref.
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