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Matricarin

PropertiesImage
MNX_IDMNXM127714 Image of MNXM127714
referencechebi:174918
formulaC17H20O5
global charge0
mol weight304.342
InChIKeyQONYNSMAVSRIRD-UPQAZBFISA-N
InChIInChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15+,16+/m0/s1
SMILESCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21
MNX internals
InChI (mnx)InChI=1/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15+,16+/m0/s1 Image of MNXM127714
SMILES (mnx)[CH3:1][C:7]1=[CH:5][C:11](=[O:19])[C:13]2=[C:8]([CH3:2])[CH2:6][C@H:12]([O:21][C:10]([CH3:4])=[O:18])[C@H:15]3[C@H:9]([CH3:3])[C:17](=[O:20])[O:22][C@@H:16]3[C@@H:14]12
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

CHEBI:174918
chebi:174918
QONYNSMAVSRIRD-UPQAZBFISA-N 		Matricarin
[(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]uran-4-yl] acetate
hmdb:HMDB0035790
QONYNSMAVSRIRD-UHFFFAOYSA-N 		Matricarin
3,6,9-Trimethyl-2,7-dioxo-2H,3H,3ah,4H,5H,7H,9ah,9BH-azuleno[4,5-b]furan-4-yl acetic acid
3,6,9-trimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
3,6,9-trimethyl-2,7-dioxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
Artilesin a
Austricin acetate
Desacetoxymatricarin

hmdb:HMDB35790 		secondary/obsolete/fantasy identifier