input word = C00000644

Metabolite InformationStructural formula
Name Kobusinol A
Formula C21H26O6
Mw 374.17293856
CAS RN 177080-50-1
C_ID C00000644 ,
InChIKey UBHQFHYVKKIXCN-ZQCIRLDPNA-N
InChICode InChI=1S/C21H26O6/c1-12-15(20(23)13-6-8-17(24-2)19(9-13)26-4)11-27-21(12)14-5-7-16(22)18(10-14)25-3/h5-10,12,15,20-23H,11H2,1-4H3/t12-,15-,20+,21-/m0/s1
SMILES c1c(c(cc(c1)[C@H]1OC[C@@H]([C@@H]1C)[C@H](O)c1cc(c(cc1)OC)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia kobus var. borealis Ref.
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