Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

cyclooctatin

PropertiesImageOccurences in reactions
MNX_IDMNXM149006Image of MNXM149006
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC20H34O3
charge0
mass322.25079
referencechebi:78370
InChIKeyMSKFOQCDNOFJAT-VCRXIKTMSA-N
InChIInChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]([C@H](O)C[C@H]3CO)[C@@](C)(O)C/C=C/12
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:78370
chebi:78370 		cyclooctatin
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
metacyc.compound:CPD-16666
metacycM:CPD-16666
seed.compound:cpd34734
seedM:cpd34734 		cyclooctatin
seedM:M_cpd34734 secondary/obsolete/fantasy identifier