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Eucommin A

PropertiesImage
MNX_IDMNXM52926 Image of MNXM52926
referencechebi:4914
formulaC27H34O12
global charge0
mol weight550.557
InChIKeyGLGVEKKQPFRBAS-UOVCOODASA-N
InChIInChI=1S/C27H34O12/c1-33-17-6-12(4-5-16(17)29)24-14-10-37-25(15(14)11-36-24)13-7-18(34-2)26(19(8-13)35-3)39-27-23(32)22(31)21(30)20(9-28)38-27/h4-8,14-15,20-25,27-32H,9-11H2,1-3H3/t14-,15-,20+,21+,22-,23+,24+,25+,27-/m0/s1
SMILESCOC1=CC([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H34O12/c1-33-17-6-12(4-5-16(17)29)24-14-10-37-25(15(14)11-36-24)13-7-18(34-2)26(19(8-13)35-3)39-27-23(32)22(31)21(30)20(9-28)38-27/h4-8,14-15,20-25,27-32H,9-11H2,1-3H3/t14-,15-,20+,21+,22-,23+,24+,25+,27-/m0/s1 Image of MNXM52926
SMILES (mnx)[CH3:1][O:33][C:17]1=[C:16]([OH:29])[CH:5]=[CH:4][C:12]([C@@H:24]2[C@H:14]3[CH2:10][O:37][C@H:25]([C:13]4=[CH:7][C:18]([O:34][CH3:2])=[C:26]([O:39][C@H:27]5[C@H:23]([OH:32])[C@@H:22]([OH:31])[C@H:21]([OH:30])[C@@H:20]([CH2:9][OH:28])[O:38]5)[C:19]([O:35][CH3:3])=[CH:8]4)[C@H:15]3[CH2:11][O:36]2)=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd07446
seedM:cpd07446
CHEBI:4914
chebi:4914
kegg.compound:C10560
keggC:C10560
GLGVEKKQPFRBAS-UOVCOODASA-N 		Eucommin A
Medioresinol 4'-O-beta-D-glucopyranoside

keggC:M_C10560
seedM:M_cpd07446 		secondary/obsolete/fantasy identifier