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tetracenomycin F1
MNXM3365 is deprecated and here replaced by MNXM1371568
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1371568 |
 |
| reference | chebi:74931 |
| formula | C20H13O7 |
| global charge | -1 |
| mol weight | 365.317 |
| InChIKey | BJSNGVYBQJIGRT-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27)/p-1 |
| SMILES | CC1=C2C(=CC(O)=C1C(=O)[O-])C=C1CC3=C(C(=O)C1=C2O)C(O)=CC(O)=C3 |
MNX internals
| InChI (mnx) | InChI=1/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27) |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[C:15]([C:20](=[O:26])[OH:27])[C:12]([OH:22])=[CH:5][C:10]2=[CH:3][C:8]3=[C:17]([C:18]([OH:24])=[C:14]12)[C:19](=[O:25])[C:16]1=[C:13]([OH:23])[CH:6]=[C:11]([OH:21])[CH:4]=[C:9]1[CH2:2]3 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 9 |
| in models (compartimentalized) |
0 |
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Similar chemical compounds in external resources
| Identifier | Description |
CHEBI:74931 chebi:74931 BJSNGVYBQJIGRT-UHFFFAOYSA-M
| tetracenomycin F1 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylate tetracenomycin F1(1-)
|
kegg.compound:C12367 keggC:C12367 BJSNGVYBQJIGRT-UHFFFAOYSA-N
| Tetracenomycin F1
|
seed.compound:cpd09120 seedM:cpd09120 BJSNGVYBQJIGRT-UHFFFAOYSA-M
| Tetracenomycin F1 Tcm F1 tetracenomycin F1
|
hmdb:HMDB0302085 BJSNGVYBQJIGRT-UHFFFAOYSA-N
| Theasaponin F1 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid TCM F1 tetracenomycin F1
|
CHEBI:32205 chebi:32205 BJSNGVYBQJIGRT-UHFFFAOYSA-N
| tetracenomycin F1 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid Tcm F1 Tetracenomycin F1
|
keggC:M_C12367 seedM:M_cpd09120
| secondary/obsolete/fantasy identifier
|