input word = C00056847

Metabolite InformationStructural formula
Name Nepetariaside
Formula C16H28O8
Mw 348.17841787
CAS RN 110344-61-1
C_ID C00056847
InChIKey NCBSGBLITRBNGW-UHFFFAOYSA-N
InChICode InChI=1S/C16H28O8/c1-7-3-4-9(11(7)15(21)22)8(2)6-23-16-14(20)13(19)12(18)10(5-17)24-16/h7-14,16-20H,3-6H2,1-2H3,(H,21,22)
SMILES CC(COC1OC(CO)C(O)C(O)C1O)C1CCC(C)C1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeNepeta cataria Ref.
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OrganismNepeta cataria
ReferenceMurai, F. et al., Chem. Pharm. Bull., 1987, 35, 2533 (isol, pmr, cmr)