Search MNXref
 Feedback

(4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

PropertiesImage
MNX_IDMNXM172519 Image of MNXM172519
referencechebi:94378
formulaC23H27N3O7
global charge0
mol weight457.483
InChIKeyZZZRUAITSXLWBH-PGBZFOFMSA-N
InChIInChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9?,11?,14?,16?,17-,23-/m1/s1
SMILESCN(C)C1=C2CC3CC4[C@@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@]4(O)C(=O)C3C(=O)C2=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9?,11?,14?,16?,17-,23-/m1/s1 Image of MNXM172519
SMILES (mnx)[CH3:1][N:25]([CH3:2])[C:12]1=[C:10]2[CH2:7][CH:9]3[CH2:8][CH:11]4[C@@H:17]([N:26]([CH3:3])[CH3:4])[C:19](=[O:29])[CH:16]([C:22](=[NH:24])[OH:32])[C:21](=[O:31])[C@:23]4([OH:33])[C:20](=[O:30])[CH:14]3[C:18](=[O:28])[C:15]2=[C:13]([OH:27])[CH:6]=[CH:5]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:94378
chebi:94378
ZZZRUAITSXLWBH-PGBZFOFMSA-N 		(4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
hmdb:HMDB0248915
ZZZRUAITSXLWBH-UHFFFAOYSA-N 		(4S,4As,5aR,12aS)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide
4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydro-2H-tetracene-2-carboxamide