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8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide

PropertiesImage
MNX_IDMNXM118671 Image of MNXM118671
referencechebi:176061
formulaC22H32O8
global charge0
mol weight424.49
InChIKeyLOQBOYSPYWSYGO-KPKJPENVSA-N
InChIInChI=1S/C22H32O8/c1-7-12(2)20(25)30-17-10-22(4,28-6)18(27-5)9-15(24)14(11-23)8-16-19(17)13(3)21(26)29-16/h7,14,16-19,23H,3,8-11H2,1-2,4-6H3/b12-7+
SMILESC=C1C(=O)OC2CC(CO)C(=O)CC(OC)C(C)(OC)CC(OC(=O)/C(C)=C/C)C12
MNX internals
InChI (mnx)InChI=1/C22H32O8/c1-7-12(2)20(25)30-17-10-22(4,28-6)18(27-5)9-15(24)14(11-23)8-16-19(17)13(3)21(26)29-16/h7,14,16-19,23H,3,8-11H2,1-2,4-6H3/b12-7+/t14?,16?,17?,18?,19?,22? Image of MNXM118671
SMILES (mnx)[CH3:1]/[CH:7]=[C:12](\[CH3:2])[C:20](=[O:25])[O:30][CH:17]1[CH2:10][C:22]([CH3:4])([O:28][CH3:6])[CH:18]([O:27][CH3:5])[CH2:9][C:15](=[O:24])[CH:14]([CH2:11][OH:23])[CH2:8][CH:16]2[CH:19]1[C:13](=[CH2:3])[C:21](=[O:26])[O:29]2
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:176061
chebi:176061
LOQBOYSPYWSYGO-KPKJPENVSA-N 		8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
[10-(hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylidene-2,9-dioxo-3a,4,5,7,8,10,11,11a-octahydrocyclodeca[b]uran-4-yl] (E)-2-methylbut-2-enoate
hmdb:HMDB0039013
LOQBOYSPYWSYGO-KPKJPENVSA-N 		8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
10-(Hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylidene-2,9-dioxo-dodecahydrocyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoic acid
10-(hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylidene-2,9-dioxo-dodecahydrocyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate
10-(hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylidene-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate
8b-Angeloyloxy-15-hydroxy-1a,10R-dimethoxy-3-oxo-11(13)-germacren-12,6a-olide
8beta-angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide

hmdb:HMDB39013 		secondary/obsolete/fantasy identifier