input word = C00003333

Metabolite InformationStructural formula
Name Molephantin
Formula C19H22O6
Mw 346.14163844
CAS RN 50656-66-1
C_ID C00003333 ,
InChIKey LXINRHXYVUTAMQ-VXUMGCHZNA-N
InChICode InChI=1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6+,11-8-/t14-,15+,16-,17-/m0/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)[C@H](/C(=C\C(=O)/C=C(/C[C@@H]2OC(=O)C(=C)C)\C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeElephantopus molis Ref.
PlantaeAsteraceaeElephantopus mollis Ref.
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