input word = C00010692

Metabolite InformationStructural formula
Name 6-O-Acetylshanzhiside methyl ester
Formula C19H28O12
Mw 448.15807636
CAS RN 110186-13-5
C_ID C00010692 ,
InChIKey GKXRBKPTVBNOEE-ACPGVIJJNA-N
InChICode InChI=1S/C19H28O12/c1-7(21)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15+,17+,18-,19+/m1/s1
SMILES [C@@H]12[C@@H]([C@](C[C@H]1OC(=O)C)(O)C)[C@@H](OC=C2C(=O)OC)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria lupulina Ref.
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