input word = C00057744

Metabolite InformationStructural formula
Name Silandrin B
Formula C25H22O9
Mw 466.1263823
CAS RN 1021297-33-5
C_ID C00057744
InChIKey CRPGUMMYQABYES-QXWFJRNPSA-N
InChICode InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23-,25-/m0/s1
SMILES OC1=CC=C([C@H]2[C@H](CO)OC(C=C([C@@H]3CC(C(C(O)=CC(O)=C4)=C4O3)=O)C=C5)=C5O2)C=C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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