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

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mangiferin

	Properties	Image
MNX_ID	MNXM738822
reference	chebi:194216
formula	C₁₉H₁₇O₁₁
global charge	-1
mol weight	421.334
InChIKey	AEDDIBAIWPIIBD-ZJKJAXBQSA-M
InChI	InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/p-1/t11-,15-,17+,18-,19+/m1/s1
SMILES	O=C1C2=CC(O)=C(O)C=C2OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2

MNX internals

InChI (mnx)	InChI=1/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
SMILES (mnx)	[CH:1]1=[C:5]2[C:9](=[CH:2][C:7]([OH:22])=[C:6]1[OH:21])[O:29][C:10]1=[C:13]([C:14]2=[O:24])[C:16]([OH:26])=[C:12]([C@H:19]2[C@H:18]([OH:28])[C@@H:17]([OH:27])[C@H:15]([OH:25])[C@@H:11]([CH2:4][OH:20])[O:30]2)[C:8]([OH:23])=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:194216 chebi:194216 AEDDIBAIWPIIBD-ZJKJAXBQSA-M	mangiferin mangiferin(1-)
seed.compound:cpd06967 seedM:cpd06967 AEDDIBAIWPIIBD-ZJKJAXBQSA-L	Chinomin Mangiferin
sabiork.compound:12162 sabiorkM:12162 AEDDIBAIWPIIBD-ZJKJAXBQSA-N	Mangiferin
kegg.compound:C10077 keggC:C10077 AEDDIBAIWPIIBD-ZJKJAXBQSA-N	Mangiferin Chinomin
hmdb:HMDB0302730 AEDDIBAIWPIIBD-ZJKJAXBQSA-N	Mangiferol (1S)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one 2-beta-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one Alpizarin Aphloiol Chinomin Chinonin Hedysarid mangiferin
CHEBI:6682 chebi:6682 AEDDIBAIWPIIBD-ZJKJAXBQSA-N	mangiferin (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one Alpizarin Aphloiol Chinomin Chinonin Hedysarid Mangiferin
metacyc.compound:CPD-25755 metacycM:CPD-25755 AEDDIBAIWPIIBD-ZJKJAXBQSA-N	mangiferin (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one alpizarin aphloiol chinomin chinonin hedysarid
keggC:M_C10077 seedM:M_cpd06967	secondary/obsolete/fantasy identifier