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secologanin

Properties

Image

Occurences in reactions

MNX_ID

MNXM823

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	2

formula

C₁₇H₂₄O₁₀

charge

mass

388.13695

reference

chebi:18002

InChIKey

CSKKDSFETGLMSB-NRZPKYKESA-N

InChI

InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1

SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18002 chebi:18002	secologanin (-)-Secologanin (-)-secologanin 3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-2H-pyran-5-carboxylic acid, methyl ester METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE Secologanin methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate methyl (2S,3R,4S)-4-(formylmethyl)-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-vinyl-2H-pyran-5-carboxylate
lipidmaps:LMPR0102070002 lipidmapsM:LMPR0102070002	Secologanin
kegg.compound:C01852 keggC:C01852	Secologanin (-)-Secologanin
seed.compound:cpd01275 seedM:cpd01275	Secologanin (-)-Secologanin (-)-secologanin secologanin
metacyc.compound:SECOLOGANIN-CPD metacycM:SECOLOGANIN-CPD	secologanin (-)-secologanin
chebi:15070 chebi:18500 chebi:45549 chebi:9076 keggC:M_C01852 seedM:M_cpd01275	secondary/obsolete/fantasy identifier