input word = C00008375

Metabolite InformationStructural formula
Name Silymonin
Formula C25H22O9
Mw 466.1263823
CAS RN 70815-31-5
C_ID C00008375 ,
InChIKey LNLXUVRWFZAUFM-KWJXRXKLNA-N
InChICode InChI=1S/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-9-33-25(31)14(13)7-12(22(21)24(25)30)18-8-17(29)23-16(28)5-11(26)6-20(23)34-18/h2-7,13-14,18,21-22,26-28,31H,8-9H2,1H3/t13-,14-,18-,21+,22+,25+/m0/s1
SMILES c1c(c2c(cc1O)O[C@@H](CC2=O)C1=C[C@@H]2[C@@]3(C(=O)[C@H]1[C@@H]([C@H]2CO3)c1cc(c(cc1)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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