input word = C00035976

Metabolite InformationStructural formula
Name 7-O-Acetyl-8-epi-loganic acid
(-)-7-O-Acetyl-8-epi-loganic acid
Formula C18H26O11
Mw 418.14751167
CAS RN 125712-75-6
C_ID C00035976 ,
InChIKey PYRKTZSRUCICCL-HFLHPRNRNA-N
InChICode InChI=1S/C18H26O11/c1-6-10(27-7(2)20)3-8-9(16(24)25)5-26-17(12(6)8)29-18-15(23)14(22)13(21)11(4-19)28-18/h5-6,8,10-15,17-19,21-23H,3-4H2,1-2H3,(H,24,25)/t6-,8-,10+,11-,12+,13-,14+,15-,17+,18+/m1/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@@H]([C@H](C2)OC(=O)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria strigosa Ref.
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OrganismBarleria strigosa
ReferenceKanchanapoom,Chem.Pharm.Bull.,52,(2004),612