input word = C00000645

Metabolite InformationStructural formula
Name Kobusinol B
Formula C22H28O7
Mw 404.18350325
CAS RN 177313-81-4
C_ID C00000645 ,
InChIKey YHXRGUWLQJECEW-IMRFMWEFNA-N
InChICode InChI=1S/C22H28O7/c1-25-17-7-5-13(9-19(17)27-3)21(24)16-12-29-22(15(16)11-23)14-6-8-18(26-2)20(10-14)28-4/h5-10,15-16,21-24H,11-12H2,1-4H3/t15-,16+,21+,22-/m1/s1
SMILES c1c(c(cc(c1)[C@H]1OC[C@@H]([C@H]1CO)[C@@H](O)c1cc(c(cc1)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia kobus var. borealis Ref.
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