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(-)-solanapyrone A

PropertiesImage
MNX_IDMNXM5352 Image of MNXM5352
referencechebi:38229
formulaC18H22O4
global charge0
mol weight302.37
InChIKeyAWQLNKJBXASXDU-SFDCBXKLSA-N
InChIInChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1
SMILESCOC1=C(C=O)C(=O)OC([C@H]2[C@@H]3CCCC[C@@H]3C=C[C@@H]2C)=C1
MNX internals
InChI (mnx)InChI=1/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1 Image of MNXM5352
SMILES (mnx)[CH3:1][C@H:11]1[CH:7]=[CH:8][C@H:12]2[CH2:5][CH2:3][CH2:4][CH2:6][C@H:13]2[C@@H:17]1[C:16]1=[CH:9][C:15]([O:21][CH3:2])=[C:14]([CH:10]=[O:19])[C:18](=[O:20])[O:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:38229
chebi:38229
AWQLNKJBXASXDU-SFDCBXKLSA-N 		(-)-solanapyrone A
4-methoxy-6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2H-pyran-3-carbaldehyde
solanapyrone A

seed.compound:cpd21434
seedM:cpd21434
AWQLNKJBXASXDU-SFDCBXKLSA-N 		(-)-Solanapyrone A
(-)-solanapyrone A
4-Methoxy-6-((1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde
4-methoxy-6-((1R,2S,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-2H-pyran-3-carboxaldehyde
Solanapyrone A

kegg.compound:C20201
keggC:C20201
AWQLNKJBXASXDU-SFDCBXKLSA-N 		(-)-Solanapyrone A
4-Methoxy-6-((1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde
Solanapyrone A

sabiork.compound:31251
sabiorkM:31251
AWQLNKJBXASXDU-SFDCBXKLSA-N 		Solanapyrone A

metacyc.compound:CPD-13657
metacycM:CPD-13657
AWQLNKJBXASXDU-SFDCBXKLSA-N 		solanapyrone A
4-methoxy-6-((1R,2S,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-2H-pyran-3-carboxaldehyde

keggC:M_C20201
seedM:M_cpd21434 		secondary/obsolete/fantasy identifier