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D-cellobiono-1,5-lactone

PropertiesImage
MNX_IDMNXM2353 Image of MNXM2353
referencechebi:17863
formulaC12H20O11
global charge0
mol weight340.281
InChIKeyFSICMNGKCHFHGP-ZNLUKOTNSA-N
InChIInChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-10,12-19H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
SMILESO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-10,12-19H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1 Image of MNXM2353
SMILES (mnx)[CH2:1]([C@@H:3]1[C@@H:5]([OH:15])[C@H:6]([OH:16])[C@@H:9]([OH:19])[C@H:12]([O:23][C@@H:10]2[C@@H:4]([CH2:2][OH:14])[O:21][C:11](=[O:20])[C@H:8]([OH:18])[C@H:7]2[OH:17])[O:22]1)[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17863
chebi:17863
FSICMNGKCHFHGP-ZNLUKOTNSA-N
D-cellobiono-1,5-lactone
Cellobiono-1,5-lactone
Cellobionolactone
Cellobiose-1,5-lactone
beta-D-glucopyranosyl-(1->4)-D-glucono-1,5-lactone
cellobiono-1,5-lactone

kegg.compound:C01093
keggC:C01093
FSICMNGKCHFHGP-ZNLUKOTNSA-N
Cellobiono-1,5-lactone
Cellobionolactone
Cellobiose-1,5-lactone

seed.compound:cpd00801
seedM:cpd00801
FSICMNGKCHFHGP-ZNLUKOTNSA-N
Cellobiose-1,5-lactone
Cellobiono-1,5-lactone
Cellobionolactone
cellobiono-1,5-lactone

kegg.glycan:G10590
keggG:G10590
G10590

metacyc.compound:CPD-379
metacycM:CPD-379
FSICMNGKCHFHGP-ZNLUKOTNSA-N
cellobiono-1,5-lactone
Cellobiose-1,5-lactone

chebi:13951
chebi:23060
chebi:3521
chebi:58300
keggC:M_C01093
keggG:M_G10590
seedM:M_cpd00801
secondary/obsolete/fantasy identifier