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Iresinin I

PropertiesImageOccurences in reactions
MNX_IDMNXM57707Image of MNXM57707
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC36H42N2O23
charge0
mass870.21784
referencechebi:5961
InChIKeyGTTSBGCXUNBAOH-ZQHVOMFASA-N
InChIInChI=1S/C36H42N2O23/c1-36(56,9-21(40)41)10-22(42)57-11-20-23(43)25(45)29(61-34-27(47)24(44)26(46)28(60-34)33(54)55)35(59-20)58-19-7-13-6-17(32(52)53)38(16(13)8-18(19)39)3-2-12-4-14(30(48)49)37-15(5-12)31(50)51/h2-4,7-8,15,17,20,23-29,34-35,43-47,56H,5-6,9-11H2,1H3,(H6,39,40,41,48,49,50,51,52,53,54,55)/t15-,17-,20+,23+,24-,25-,26-,27+,28-,29+,34-,35+,36+/m0/s1
SMILESC[C@@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(cc2O)/[N+](=C/C=C2/C=C(C(=O)O)N[C@H](C(=O)O)C2)[C@H](C(=O)[O-])C3)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd05457
seedM:cpd05457
CHEBI:5961
chebi:5961
kegg.compound:C08550
keggC:C08550 		Iresinin I
keggC:M_C08550
seedM:M_cpd05457 		secondary/obsolete/fantasy identifier