input word = C00012697

Metabolite InformationStructural formula
Name Argutin
Formula C24H36O8
Mw 452.24101813
CAS RN 119347-18-1
C_ID C00012697 ,
InChIKey LLBMDQKIMOBDCW-UHFFFAOYNA-N
InChICode InChI=1S/C24H36O8/c1-13(2)17-11-19-22(6,12-18(17)28)10-9-20(24(19,8)32-16(5)27)30-21(29)23(7,14(3)25)31-15(4)26/h14,19-20,25H,9-12H2,1-8H3/t14-,19-,20-,22+,23-,24+/m1/s1
SMILES C1[C@@]2([C@H]([C@]([C@@H](C1)OC(=O)[C@@](C)([C@@H](C)O)OC(=O)C)(C)OC(=O)C)CC(=C(C)C)C(=O)C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
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