input word = C00043217

Metabolite InformationStructural formula
Name 6,9-Epi-8-O-acetylshanziside methyl ester
(-)-6,9-Epi-8-O-acetylshanziside methyl ester
Formula C19H28O12
Mw 448.15807636
CAS RN 760984-32-5
C_ID C00043217 ,
InChIKey ARFRZOLTIRQFCI-PUVFCPENNA-N
InChICode InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11-,12-,13+,14-,15+,17-,18-,19-/m0/s1
SMILES O1C=C([C@@H]2[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@](C[C@@H]2O)(C)OC(=O)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeEremostachys glabra Ref.
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