input word = C00012207

Metabolite InformationStructural formula
Name Melampolidin
Formula C23H30O9
Mw 450.18898256
CAS RN 60295-56-9
C_ID C00012207 ,
InChIKey FJSPFXUDXCTRPX-ZOUIJLIHNA-N
InChICode InChI=1S/C23H30O9/c1-12-8-7-9-16(21(26)29-6)11-18(19-13(2)20(25)31-17(19)10-12)32-22(27)23(5,28)14(3)30-15(4)24/h9-10,14,17-19,28H,2,7-8,11H2,1,3-6H3/b12-10+,16-9+/t14-,17-,18+,19-,23+/m0/s1
SMILES C\1(=C\CC/C(=C/[C@H]2[C@@H]([C@@H](C1)OC(=O)[C@](C)(O)[C@H](C)OC(=O)C)C(=C)C(=O)O2)/C)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium leucanthum Ref.
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