MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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taxiphyllin

MNXM4200 is deprecated and here replaced by MNXM735838
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM735838
reference	chebi:16267
formula	C₁₄H₁₇NO₇
global charge	0
mol weight	311.29
InChIKey	NVLTYOJHPBMILU-GMDXDWKASA-N
InChI	InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
SMILES	N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([OH:17])=[CH:4][CH:2]=[C:7]1[C@H:9]([C:5]#[N:15])[O:21][C@H:14]1[C@H:13]([OH:20])[C@@H:12]([OH:19])[C@H:11]([OH:18])[C@@H:10]([CH2:6][OH:16])[O:22]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16267 chebi:16267 NVLTYOJHPBMILU-GMDXDWKASA-N	taxiphyllin (2R)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile (R)-4-Hydroxymandelonitrile beta-D-glucoside (R)-4-hydroxymandelonitrile beta-D-glucoside (R)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile (R)-p-hydroxymandelonitrile-D-glucopyranoside Taxiphyllin
seed.compound:cpd01278 seedM:cpd01278 NVLTYOJHPBMILU-GMDXDWKASA-N	Taxiphyllin (2R)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile (R)-4-Hydroxymandelonitrile beta-D-glucoside (R)-4-hydroxymandelonitrile beta-D-glucoside (R)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile taxiphyllin
kegg.compound:C01855 keggC:C01855 NVLTYOJHPBMILU-GMDXDWKASA-N	Taxiphyllin (R)-4-Hydroxymandelonitrile beta-D-glucoside
metacyc.compound:CPD-1103 metacycM:CPD-1103 NVLTYOJHPBMILU-GMDXDWKASA-N	taxiphyllin (2R)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile (R)-4-hydroxymandelonitrile beta-D-glucoside (R)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
chebi:15207 chebi:26862 chebi:9418 keggC:M_C01855 seedM:M_cpd01278	secondary/obsolete/fantasy identifier