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4-hydroxyestrone
MNXM37528 is deprecated and here replaced by MNXM735072
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM735072 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
4 |
|
| formula | C18H22O3 |
| charge | 0 |
| mass | 286.15689 |
| reference | biggM:CE2180 |
| InChIKey | XQZVQQZZOVBNLU-KQWCVQSUSA-N |
| InChI | InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m1/s1 |
| SMILES | C[C@@]12CCC3c4ccc(O)c(O)c4CCC3C1CCC2=O |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
bigg.metabolite:CE2180
biggM:CE2180
| 4-hydroxyestrone
|
| hmdb:HMDB0005895
| 4-Hydroxyestrone
(15R)-5,6-dihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-one
1,3,5(10)-Estratriene-3,4-diol-17-one
3,4-Dihydroxy-1,3,5(10)-estratrien-17-one
3,4-Dihydroxy-estra-1,3,5(10)-trien-17-one
3,4-Dihydroxyestra-1,3,5(10)-trien-17-one
4-Hydroxy catechol estrogen
4OHEs
Estra-1,3,5(10)-triene-3,4-diol-17-one
|
hmdb:HMDB05895
biggM:M_CE2180
| secondary/obsolete/fantasy identifier
|
