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demethoxyisogemichalcone C

PropertiesImage
MNX_IDMNXM49014 Image of MNXM49014
referencechebi:140133
formulaC29H26O8
global charge0
mol weight502.519
InChIKeyXXQUTHYOIGFGPG-MPKNGZDBSA-N
InChIInChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
SMILESC/C(=C\CC1=C(O)C=CC(C(=O)/C=C/C2=C(O)C=C(O)C=C2)=C1O)COC(=O)/C=C/C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+ Image of MNXM49014
SMILES (mnx)[CH3:1]/[C:18](=[CH:2]\[CH2:11][C:23]1=[C:26]([OH:33])[CH:14]=[CH:12][C:24]([C:25](/[CH:13]=[CH:7]/[C:20]2=[C:27]([OH:34])[CH:16]=[C:22]([OH:31])[CH:10]=[CH:6]2)=[O:32])=[C:29]1[OH:36])[CH2:17][O:37][C:28](/[CH:15]=[CH:5]/[C:19]1=[CH:4][CH:9]=[C:21]([OH:30])[CH:8]=[CH:3]1)=[O:35]
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:140133
chebi:140133
XXQUTHYOIGFGPG-MPKNGZDBSA-N
demethoxyisogemichalcone C

lipidmaps:LMPK12120122
lipidmapsM:LMPK12120122
XXQUTHYOIGFGPG-MPKNGZDBSA-N
Demethoxyisogemichalcone C
3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone