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

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Trifolirhizin

MNXM2882 is deprecated and here replaced by MNXM733493
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733493
reference	chebi:9714
formula	C₂₂H₂₂O₁₀
global charge	0
mol weight	446.408
InChIKey	VGSYCWGXBYZLLE-QEEQPWONSA-N
InChI	InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
SMILES	OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)[C@@H]2OC4=CC5=C(C=C4[C@@H]2CO3)OCO5)[C@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:10]2=[C:13]([CH:3]=[C:9]1[O:30][C@H:22]1[C@H:20]([OH:26])[C@@H:19]([OH:25])[C@H:18]([OH:24])[C@@H:17]([CH2:6][OH:23])[O:32]1)[O:27][CH2:7][C@H:12]1[C:11]3=[CH:4][C:15]4=[C:16]([CH:5]=[C:14]3[O:31][C@@H:21]21)[O:29][CH2:8][O:28]4

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9714 chebi:9714 kegg.compound:C10538 keggC:C10538 VGSYCWGXBYZLLE-QEEQPWONSA-N	Trifolirhizin (-)-Maackiain 3-O-glucoside
lipidmaps:LMPK12070033 lipidmapsM:LMPK12070033 VGSYCWGXBYZLLE-QEEQPWONSA-N	(-)-Maackiain 3-O-glucoside Trifolirhizin
hmdb:HMDB0303946 VGSYCWGXBYZLLE-QEEQPWONSA-N	(-)-maackiain-3-O-glucoside (-)-Maackiain 3-O-glucoside (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy]oxane-3,4,5-triol trifolirhizin
metacyc.compound:CPD-4222 metacycM:CPD-4222 VGSYCWGXBYZLLE-QEEQPWONSA-N	(-)-maackiain-3-O-glucoside trifolirhizin
seed.compound:cpd07424 seedM:cpd07424 VGSYCWGXBYZLLE-QEEQPWONSA-N	Trifolirhizin (-)-Maackiain 3-O-glucoside (-)-maackiain-3-O-glucoside trifolirhizin
keggC:M_C10538 seedM:M_cpd07424	secondary/obsolete/fantasy identifier