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4-(indol-3-yl)butanoyl-beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM18665

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₁₈H₂₃NO₇

charge

mass

365.14745

reference

chebi:145927

InChIKey

CIJFFKOICMQHCH-LHKMKVQPSA-N

InChI

InChI=1S/C18H23NO7/c20-9-13-15(22)16(23)17(24)18(25-13)26-14(21)7-3-4-10-8-19-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,15-20,22-24H,3-4,7,9H2/t13-,15-,16+,17-,18+/m1/s1

SMILES

O=C(CCCc1c[nH]c2ccccc12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145927 chebi:145927	4-(indol-3-yl)butanoyl-beta-D-glucose (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 4-(1H-indol-3-yl)butanoate 1-O-[4-(1H-indol-3-yl)butanoyl]-beta-D-glucopyranose 1H-indole-3-butyric acid beta-D-glucopyranosyl ester IBA-beta-D-Glc IBA-beta-D-glucopyranose IBA-beta-D-glucose indole-3-butyryl-beta-D-glucose
metacyc.compound:CPD-12621 metacycM:CPD-12621	4-(indol-3-yl)butanoyl-beta-D-glucose IBA-Glc IBA-glucose indole-3-butyric acid D-glucoside indole-3-butyryl-D-glucose indole-3-butyryl-glucose indolebutyryl-glucose
seed.compound:cpd23497 seedM:cpd23497	IBA-Glc IBA-glucose indole-3-butyric acid D-glucoside indole-3-butyryl-D-glucose indole-3-butyryl-glucose indolebutyryl-glucose
seedM:M_cpd23497	secondary/obsolete/fantasy identifier