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elloramycin A

MNXM11482 is deprecated and here replaced by MNXM1364864
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364864 Image of MNXM1364864
referencechebi:78288
formulaC32H36O15
global charge0
mol weight660.625
InChIKeyOYEXGNNKRQPUBW-FJYHMNRNSA-N
InChIInChI=1S/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1
SMILESCOC(=O)C1=C(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)C=C2C=C3C(=O)[C@@]4(O)[C@H](O)C(OC)=CC(=O)[C@@]4(OC)C(=O)C3=C(O)C2=C1C
MNX internals
InChI (mnx)InChI=1/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1 Image of MNXM1364864
SMILES (mnx)[CH3:1][C:12]1=[C:20]([C:29](=[O:38])[O:44][CH3:7])[C:16]([O:47][C@H:30]2[C@H:25]([O:43][CH3:6])[C@H:24]([O:42][CH3:5])[C@@H:23]([O:41][CH3:4])[C@H:13]([CH3:2])[O:46]2)=[CH:10][C:14]2=[CH:9][C:15]3=[C:21]([C:22]([OH:34])=[C:19]12)[C:28](=[O:37])[C@:32]1([O:45][CH3:8])[C:18](=[O:33])[CH:11]=[C:17]([O:40][CH3:3])[C@@H:27]([OH:36])[C@:31]1([OH:39])[C:26]3=[O:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78288
chebi:78288
OYEXGNNKRQPUBW-FJYHMNRNSA-N 		elloramycin A
Elloramycin
methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate

kegg.compound:C12381
keggC:C12381
OYEXGNNKRQPUBW-FJYHMNRNSA-N 		Elloramycin A

metacyc.compound:CPD-16637
metacycM:CPD-16637
OYEXGNNKRQPUBW-FJYHMNRNSA-N 		elloramycin

chebi:31534
keggC:M_C12381 		secondary/obsolete/fantasy identifier