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asterriquinone C1

MNXM148091 is deprecated and replaced by MNXM1100517
PropertiesImage
MNX_IDMNXM1100517 Image of MNXM1100517
referencechebi:192557
formulaC27H21N2O4
global charge-1
mol weight437.475
InChIKeyBKRWGHXVQLNRMR-UHFFFAOYSA-M
InChIInChI=1S/C27H22N2O4/c1-4-27(2,3)26-19(15-10-6-8-12-18(15)29-26)21-24(32)22(30)20(23(31)25(21)33)16-13-28-17-11-7-5-9-14(16)17/h4-13,28-30,33H,1H2,2-3H3/p-1
SMILESC=CC(C)(C)C1=C(C2=C([O-])C(=O)C(C3=CNC4=CC=CC=C43)=C(O)C2=O)C2=CC=CC=C2N1
MNX internals
InChI (mnx)InChI=1/C27H22N2O4/c1-4-27(2,3)26-19(15-10-6-8-12-18(15)29-26)21-24(32)22(30)20(23(31)25(21)33)16-13-28-17-11-7-5-9-14(16)17/h4-13,28-30,33H,1H2,2-3H3 Image of MNXM1100517
SMILES (mnx)[CH2:1]=[CH:4][C:27]([CH3:2])([CH3:3])[C:26]1=[C:19]([C:21]2=[C:25]([OH:33])[C:23](=[O:31])[C:20]([C:16]3=[CH:13][NH:28][C:17]4=[CH:11][CH:7]=[CH:5][CH:9]=[C:14]34)=[C:22]([OH:30])[C:24]2=[O:32])[C:15]2=[CH:10][CH:6]=[CH:8][CH:12]=[C:18]2[NH:29]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192557
chebi:192557
BKRWGHXVQLNRMR-UHFFFAOYSA-M 		asterriquinone C1
asterriquinone C1(1-)

metacyc.compound:CPD-16845
metacycM:CPD-16845
seed.compound:cpd32518
seedM:cpd32518
BKRWGHXVQLNRMR-UHFFFAOYSA-M
BKRWGHXVQLNRMR-UHFFFAOYSA-N 		asterriquinone C1

CHEBI:192555
chebi:192555
BKRWGHXVQLNRMR-UHFFFAOYSA-N 		asterriquinone C1
2,5-dihydroxy-3-(1H-indol-3-yl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
asterriquinone C-1
truncaquinone B

seedM:M_cpd32518 		secondary/obsolete/fantasy identifier