input word = C00047585

Metabolite InformationStructural formula
Name Tiegusanin A
Formula C28H38O8
Mw 502.25666819
CAS RN 1156503-52-4
C_ID C00047585 ,
InChIKey SFDFKVFHUAVDKD-UHFFFAOYNA-N
InChICode InChI=1S/C28H38O8/c1-10-14(2)28(30)36-27-21-17(12-19(31-5)25(27)34-8)11-15(3)16(4)23(29)18-13-20(32-6)24(33-7)26(35-9)22(18)21/h12-16,23,29H,10-11H2,1-9H3/t14-,15-,16+,23+/m0/s1
SMILES c12c(C[C@@H]([C@H]([C@H](c3c1c(c(c(c3)OC)OC)OC)O)C)C)cc(c(c2OC(=O)[C@@H](C)CC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra propinqua var.sinensis Ref.
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