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4-O-Methylmelleolide

PropertiesImage
MNX_IDMNXM118015 Image of MNXM118015
referencechebi:175315
formulaC24H30O6
global charge0
mol weight414.498
InChIKeyGYCBSZGIYPNYAB-GNMVUSIZSA-N
InChIInChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1
SMILESCO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)C1=C(C)C=C(O)C=C1O
MNX internals
InChI (mnx)InChI=1/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1 Image of MNXM118015
SMILES (mnx)[CH3:1][C:13]1=[CH:6][C:16]([OH:26])=[CH:8][C:18]([OH:27])=[C:20]1[C:21](=[O:28])[O:30][C@@H:19]1[CH2:11][C@:23]2([CH3:4])[C@H:17]3[CH2:10][C:22]([CH3:2])([CH3:3])[CH2:9][C@H:14]3[CH:7]=[C:15]([CH:12]=[O:25])[C@:24]12[O:29][CH3:5]
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:175315
chebi:175315
GYCBSZGIYPNYAB-GNMVUSIZSA-N 		4-O-Methylmelleolide
[(2R,2aS,4aS,7aS,7bR)-3-ormyl-2a-methoxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
hmdb:HMDB0037039
GYCBSZGIYPNYAB-UHFFFAOYSA-N 		4-O-Methylmelleolide
3-Formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,2ah,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoic acid
3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

hmdb:HMDB37039 		secondary/obsolete/fantasy identifier