input word = C00054112

Metabolite InformationStructural formula
Name 2,3-Dehydrosilybin
Formula C25H20O10
Mw 480.10564686
CAS RN 25166-14-7
C_ID C00054112
InChIKey BVKQRAYKLBRNIK-HYBUGGRVSA-N
InChICode InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3/t20-,24-/m1/s1
SMILES OC1=CC=C([C@H]2OC(C=C(C3=C(O)C(C(C(O)=CC(O)=C4)=C4O3)=O)C=C5)=C5O[C@@H]2CO)C=C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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