input word = C00039453

Metabolite InformationStructural formula
Name Isosilybin A
(+)-Isosilybin A
Formula C25H22O10
Mw 482.12129692
CAS RN 142796-21-2
C_ID C00039453 ,
InChIKey FDQAOULAVFHKBX-ATASIELBNA-N
InChICode InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25-/m1/s1
SMILES [C@@H]1([C@H](Oc2c(C1=O)c(cc(c2)O)O)c1cc2c(cc1)O[C@@H]([C@H](O2)CO)c1ccc(c(c1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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