input word = C00012097

Metabolite InformationStructural formula
Name Isoelephantopin
Formula C19H20O7
Mw 360.12090299
CAS RN 110268-35-4
C_ID C00012097 ,
InChIKey WIQOUTANBFOBPB-CSCJTRFQNA-N
InChICode InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12+,13-,14+,15-,19-/m1/s1
SMILES [C@@H]1(CC2=C[C@H](C[C@@]3([C@@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)O3)C)OC2=O)OC(=O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeElephantopus angustifolius Ref.
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