input word = C00011878

Metabolite InformationStructural formula
Name Polymatin C
Formula C23H28O10
Mw 464.16824712
CAS RN 72055-90-4
C_ID C00011878 ,
InChIKey MIMFOZBXDAOGQN-UXVWFOESNA-N
InChICode InChI=1S/C23H28O10/c1-10-14-16(29-12(3)24)15(31-21(27)23(5)11(2)32-23)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11-,14-,15+,16+,17+,18+,22-,23-/m1/s1
SMILES [C@@H]12[C@H]3[C@@](CC/C=C(/[C@@H]([C@H]([C@H]1C(=C)C(=O)O2)OC(=O)C)OC(=O)[C@@]1(O[C@@H]1C)C)\C(=O)OC)(O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePolymnia maculata Ref.
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