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benthophoenin

PropertiesImage
MNX_IDMNXM103023 Image of MNXM103023
referencechebi:65482
formulaC37H34N2O4
global charge0
mol weight570.689
InChIKeyZXEFSITWOFAFSF-NCELDCMTSA-N
InChIInChI=1S/C37H34N2O4/c1-24(2)11-10-12-25(3)19-20-39-32-22-28(35(40)26-13-6-4-7-14-26)17-18-31(32)38-34-30(37(42)43)21-29(23-33(34)39)36(41)27-15-8-5-9-16-27/h4-9,11,13-19,21-23,38H,10,12,20H2,1-3H3,(H,42,43)/b25-19+
SMILESCC(C)=CCC/C(C)=C/CN1C2=C(C=CC(C(=O)C3=CC=CC=C3)=C2)NC2=C1C=C(C(=O)C1=CC=CC=C1)C=C2C(=O)O
MNX internals
InChI (mnx)InChI=1/C37H34N2O4/c1-24(2)11-10-12-25(3)19-20-39-32-22-28(35(40)26-13-6-4-7-14-26)17-18-31(32)38-34-30(37(42)43)21-29(23-33(34)39)36(41)27-15-8-5-9-16-27/h4-9,11,13-19,21-23,38H,10,12,20H2,1-3H3,(H,42,43)/b25-19+ Image of MNXM103023
SMILES (mnx)[CH3:1][C:24]([CH3:2])=[CH:11][CH2:10][CH2:12]/[C:25]([CH3:3])=[CH:19]/[CH2:20][N:39]1[C:32]2=[C:31]([CH:18]=[CH:17][C:28]([C:35]([C:26]3=[CH:13][CH:6]=[CH:4][CH:7]=[CH:14]3)=[O:40])=[CH:22]2)[NH:38][C:34]2=[C:30]([C:37](=[O:42])[OH:43])[CH:21]=[C:29]([C:36]([C:27]3=[CH:15][CH:8]=[CH:5][CH:9]=[CH:16]3)=[O:41])[CH:23]=[C:33]21
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:65482
chebi:65482
ZXEFSITWOFAFSF-NCELDCMTSA-N
benthophoenin
3,7-dibenzoyl-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,10-dihydrophenazine-1-carboxylic acid