Search MNXref
 Feedback

cyclodopa 5-beta-D-glucoside

PropertiesImage
MNX_IDMNXM4540 Image of MNXM4540
referencechebi:134458
formulaC15H19NO9
global charge0
mol weight357.315
InChIKeyPXMFPPFHRQZIHO-OLCQZNMOSA-N
InChIInChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)/t7-,10+,11+,12-,13+,15+/m0/s1
SMILESO=C(O)[C@@H]1CC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2N1
MNX internals
InChI (mnx)InChI=1/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)/t7-,10+,11+,12-,13+,15+/m0/s1 Image of MNXM4540
SMILES (mnx)[CH2:1]1[C:5]2=[CH:2][C:9]([O:24][C@H:15]3[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:11]([OH:19])[C@@H:10]([CH2:4][OH:17])[O:25]3)=[C:8]([OH:18])[CH:3]=[C:6]2[NH:16][C@@H:7]1[C:14](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134458
chebi:134458
PXMFPPFHRQZIHO-OLCQZNMOSA-N 		cyclodopa 5-beta-D-glucoside
(2S)-5-(beta-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
Cyclodopa glucoside
cyclo-Dopa 5-O-glucoside
leucodopachrome 5-beta-D-glucoside
leucodopachrome glucoside

kegg.compound:C17751
keggC:C17751
PXMFPPFHRQZIHO-OLCQZNMOSA-N 		cyclo-Dopa 5-O-glucoside

seed.compound:cpd17848
seedM:cpd17848
PXMFPPFHRQZIHO-OLCQZNMOSA-N 		cyclo-Dopa 5-O-glucoside
cyclo-dopa 5-O-glucoside

metacyc.compound:CPD-8656
metacycM:CPD-8656
PXMFPPFHRQZIHO-OLCQZNMOSA-M 		cyclo-dopa 5-O-glucoside
hmdb:HMDB0304310
PXMFPPFHRQZIHO-OLCQZNMOSA-N 		cyclo-dopa 5-O-glucoside
(2S)-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid
Cyclo-dopa 5-O-glucoside
Cyclodopa 5-b-D-glucoside
Cyclodopa 5-beta-D-glucoside
Cyclodopa glucoside
Leucodopachrome 5-b-D-glucoside
Leucodopachrome 5-beta-D-glucoside
Leucodopachrome glucoside

chebi:81316
keggC:M_C17751
seedM:M_cpd17848 		secondary/obsolete/fantasy identifier