KEGG   COMPOUND: C14485
Entry
C14485                      Compound                               

Name
17beta-Dihydroequilin
Formula
C18H22O2
Exact mass
270.162
Mol weight
270.3661
Structure
Other DBs
CAS: 3563-27-7
PubChem: 17395485
ChEBI: 62851
ChEMBL: CHEMBL121458
NIKKAJI: J21.601A
KCF data

ATOM        20
            1   C8x C    15.1230  -17.1962
            2   C8y C    15.1230  -18.5545
            3   C8x C    16.2993  -19.2336
            4   C8y C    17.4756  -18.5545
            5   C8y C    17.4756  -17.1962
            6   C8x C    16.2993  -16.5171
            7   C1x C    18.6519  -19.2336
            8   C2x C    19.8282  -18.5545
            9   C2y C    19.8282  -17.1962
            10  C1y C    18.6519  -16.5171
            11  C1y C    21.0046  -16.5171
            12  C1z C    21.0046  -15.1587
            13  C1x C    19.8282  -14.4796
            14  C1x C    18.6519  -15.1587
            15  C1x C    23.3572  -16.5171
            16  C1x C    23.3572  -15.1587
            17  C1y C    22.1809  -14.4796
            18  C1a C    21.0316  -13.8005
            19  O1a O    22.1860  -13.1213
            20  O1a O    13.9051  -19.2579
BOND        23
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 1

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