input word = C00050868

Metabolite InformationStructural formula
Name Isoarctigenin
Formula C23H26O7
Mw 414.16785319
CAS RN 74892-43-6
C_ID C00050868
InChIKey HKCGEUVLMDJSGX-YTXKPMTANA-N
InChICode InChI=1S/C23H26O7/c1-14(24)30-20-8-6-16(12-22(20)28-4)10-18-17(13-29-23(18)25)9-15-5-7-19(26-2)21(11-15)27-3/h5-8,11-12,17-18H,9-10,13H2,1-4H3/t17-,18-/m0/s1
SMILES COc1ccc(C[C@H]2COC(=O)[C@H]2Cc2ccc(OC(C)=O)c(OC)c2)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
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