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Calomelanol D-1

PropertiesImage
MNX_IDMNXM45293 Image of MNXM45293
referencechebi:179409
formulaC24H20O5
global charge0
mol weight388.419
InChIKeyAFAVBHVAMSRTSZ-UHFFFAOYSA-N
InChIInChI=1S/C24H20O5/c25-18(12-11-15-7-3-1-4-8-15)23-20(27)14-19(26)22-17(13-21(28)29-24(22)23)16-9-5-2-6-10-16/h1-10,14,17,26-27H,11-13H2
SMILESO=C1CC(C2=CC=CC=C2)C2=C(O1)C(C(=O)CCC1=CC=CC=C1)=C(O)C=C2O
MNX internals
InChI (mnx)InChI=1/C24H20O5/c25-18(12-11-15-7-3-1-4-8-15)23-20(27)14-19(26)22-17(13-21(28)29-24(22)23)16-9-5-2-6-10-16/h1-10,14,17,26-27H,11-13H2/t17? Image of MNXM45293
SMILES (mnx)[CH:1]1=[CH:3][CH:7]=[C:15]([CH2:11][CH2:12][C:18]([C:23]2=[C:20]([OH:27])[CH:14]=[C:19]([OH:26])[C:22]3=[C:24]2[O:29][C:21](=[O:28])[CH2:13][CH:17]3[C:16]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)=[O:25])[CH:8]=[CH:4]1
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:179409
chebi:179409
AFAVBHVAMSRTSZ-UHFFFAOYSA-N
Calomelanol D-1
5,7-dihydroxy-4-phenyl-8-(3-phenylpropanoyl)-3,4-dihydrochromen-2-one

lipidmaps:LMPK12120495
lipidmapsM:LMPK12120495
AFAVBHVAMSRTSZ-UHFFFAOYSA-N
Calomelanol D-1