input word = C00056349

Metabolite InformationStructural formula
Name Isosilandrin B
Formula C25H22O9
Mw 466.1263823
CAS RN 1021297-34-6
C_ID C00056349
InChIKey GCUMQFLUDKFIJH-QXWFJRNPSA-N
InChICode InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)32-18-5-3-12(6-21(18)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)33-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23-,25-/m0/s1
SMILES OC[C@@H]([C@H](C1=CC=C(O)C(OC)=C1)O2)OC3=C2C=C([C@@H]4CC(C(C(O)=CC(O)=C5)=C5O4)=O)C=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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