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

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phlorizin

	Properties	Image
MNX_ID	MNXM12641
reference	chebi:8113
formula	C₂₁H₂₄O₁₀
global charge	0
mol weight	436.413
InChIKey	IOUVKUPGCMBWBT-QNDFHXLGSA-N
InChI	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES	O=C(CCC1=CC=C(O)C=C1)C1=C(O)C=C(O)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:4][C:11]([OH:23])=[CH:5][CH:2]=[C:10]1[CH2:3][CH2:6][C:13]([C:17]1=[C:14]([OH:26])[CH:7]=[C:12]([OH:24])[CH:8]=[C:15]1[O:30][C@H:21]1[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:16]([CH2:9][OH:22])[O:31]1)=[O:25]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8113 chebi:8113 IOUVKUPGCMBWBT-QNDFHXLGSA-N	phlorizin 3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside Floridzin Phloretin 2'-glucoside Phlorhizin Phloridzin Phlorizin Phlorizoside
hmdb:HMDB0036634 IOUVKUPGCMBWBT-QNDFHXLGSA-N	Phlorizin 1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one Floridzin Phloretin 2'-glucoside Phloretin-2'-O-beta-glucoside Phloretin-2'-beta-glucoside Phlorhizin Phloridzin Phloridzinum Phloridzosid Phlorizine Phlorizoside Phlorrhizen Phlorrhizin phlorizin
lipidmaps:LMPK12120517 lipidmapsM:LMPK12120517 IOUVKUPGCMBWBT-QNDFHXLGSA-N	Phlorizin 4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-glucoside Phloretin 2'-glucoside Phloridzin
kegg.compound:C01604 keggC:C01604 IOUVKUPGCMBWBT-QNDFHXLGSA-N	Phlorizin Phlorhizin Phloridzin
seed.compound:cpd01128 seedM:cpd01128 IOUVKUPGCMBWBT-QNDFHXLGSA-N	Phlorizin Phlorhizin Phloridzin floridzin phloretin 2'-O-glucoside phloretin 2'-glucoside phlorhizin phloridzin phlorizin phlorizoside
metacyc.compound:CPD-12447 metacycM:CPD-12447 IOUVKUPGCMBWBT-QNDFHXLGSA-M	phlorizin floridzin phloretin 2'-O-glucoside phlorhizin phloridzin phlorizoside
hmdb:HMDB36634 keggC:M_C01604 seedM:M_cpd01128	secondary/obsolete/fantasy identifier