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loganin

Properties

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Occurences in reactions

MNX_ID

MNXM1570

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	0

formula

C₁₇H₂₆O₁₀

charge

mass

390.385

reference

chebi:15771

InChIKey

AMBQHHVBBHTQBF-UOUCRYGSSA-N

InChI

InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1

SMILES

[CH3:1][C@H:6]1[C@@H:9]([OH:19])[CH2:3][C@@H:7]2[C:8]([C:15](=[O:23])[O:24][CH3:2])=[CH:5][O:25][C@@H:16]([O:27][C@H:17]3[C@H:14]([OH:22])[C@@H:13]([OH:21])[C@H:12]([OH:20])[C@@H:10]([CH2:4][OH:18])[O:26]3)[C@H:11]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15771 chebi:15771	loganin 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester Loganin loganoside methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
kegg.compound:C01433 keggC:C01433 lipidmaps:LMPR0102070001 lipidmapsM:LMPR0102070001	Loganin
seed.compound:cpd01023 seedM:cpd01023	Loganin loganin
hmdb:HMDB0247827	Loganoside 7-Deoxyloganin Loganin Methyl 6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4-carboxylic acid methyl 6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
metacyc.compound:LOGANIN metacycM:LOGANIN	loganin
chebi:132709 chebi:14525 chebi:25069 chebi:6513 keggC:M_C01433 seedM:M_cpd01023	secondary/obsolete/fantasy identifier