KEGG   COMPOUND: C14209Help
Entry
C14209                      Compound                               

Name
4-Hydroxyestradiol-17beta;
4-OH-Estradiol
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.3814
Structure
Mol fileKCF fileDB search
Pathway
map04913  Ovarian steroidogenesis
Other DBs
CAS: 5976-61-4
PubChem: 7847019
ChEBI: 62845
ChEMBL: CHEMBL1412489
LIPIDMAPS: LMST02010028
NIKKAJI: J353.576B
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    25.0339  -23.1690
            2   C1y C    23.8866  -23.8279
            3   C1z C    25.0395  -21.8513
            4   C1x C    27.3793  -23.1973
            5   C1y C    22.7450  -23.1518
            6   C1x C    23.8866  -25.1511
            7   C1x C    23.9094  -21.1810
            8   C1y C    26.1925  -21.2037
            9   C1a C    25.0339  -20.3919
            10  C1x C    27.3983  -21.8796
            11  C8y C    21.5920  -23.8165
            12  C1x C    22.7563  -21.8341
            13  C1x C    22.7336  -25.8043
            14  O1a O    26.1869  -19.6029
            15  C8y C    21.5864  -25.1397
            16  C8x C    20.4448  -23.1518
            17  C8y C    20.4448  -25.7985
            18  C8x C    19.2352  -23.8165
            19  C8y C    19.2276  -25.1397
            20  O1a O    18.1444  -25.7985
            21  O1a O    20.4637  -27.1719
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   17  21 1

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