input word = C00022605

Metabolite InformationStructural formula
Name Tomenphantopin A
Formula C20H24O7
Mw 376.15220312
CAS RN 108864-22-8
C_ID C00022605 ,
InChIKey QGGGTLQHMHIOKZ-DBNQEJDKNA-N
InChICode InChI=1S/C20H24O7/c1-9(2)17(21)25-13-7-11-6-12(24-19(11)23-5)8-20(4)16(27-20)15-14(13)10(3)18(22)26-15/h6,12-16,19H,1,3,7-8H2,2,4-5H3/t12-,13+,14-,15+,16-,19-,20-/m1/s1
SMILES C1=C2C[C@@H]([C@@H]3[C@@H]([C@@H]4[C@@](C[C@@H]1O[C@H]2OC)(O4)C)OC(=O)C3=C)OC(=O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeElephantopus tomentosus Ref.
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