Search MNXref
 Feedback

Disenecionyl cis-khellactone

PropertiesImage
MNX_IDMNXM51244 Image of MNXM51244
referencechebi:4656
formulaC24H26O7
global charge0
mol weight426.465
InChIKeyUHWIZIJICYWABA-DHIUTWEWSA-N
InChIInChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1
SMILESCC(C)=CC(=O)O[C@@H]1C2=C(C=CC3=C2OC(=O)C=C3)OC(C)(C)[C@@H]1OC(=O)C=C(C)C
MNX internals
InChI (mnx)InChI=1/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1 Image of MNXM51244
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:11][C:18](=[O:26])[O:29][C@@H:22]1[C:20]2=[C:16]([CH:9]=[CH:7][C:15]3=[C:21]2[O:28][C:17](=[O:25])[CH:10]=[CH:8]3)[O:31][C:24]([CH3:5])([CH3:6])[C@@H:23]1[O:30][C:19]([CH:12]=[C:14]([CH3:3])[CH3:4])=[O:27]
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:cpd06156
seedM:cpd06156
CHEBI:4656
chebi:4656
kegg.compound:C09261
keggC:C09261
UHWIZIJICYWABA-DHIUTWEWSA-N
Disenecionyl cis-khellactone

keggC:M_C09261
seedM:M_cpd06156
secondary/obsolete/fantasy identifier