KEGG   COMPOUND: C20199
Entry
C20199                      Compound                               
Name
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate;
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid;
DOHNAA;
HIP
Formula
C13H18O4
Exact mass
238.1205
Mol weight
238.28
Structure
Reaction
R09883 R10769
Pathway
map00984  Steroid degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
3.7.1.17        6.2.1.41
Other DBs
PubChem: 163311942
ChEBI: 63741
LinkDB
KCF data

ATOM        17
            1   C1y C    19.4040  -15.7118
            2   C1z C    19.3979  -14.3337
            3   C1y C    18.2218  -16.4031
            4   C1x C    18.2026  -13.6483
            5   C1a C    19.3830  -12.9182
            6   C5x C    17.0073  -15.7238
            7   C1b C    18.2279  -17.7860
            8   C1x C    17.0012  -14.3470
            9   O5x O    15.8187  -16.4827
            10  C1b C    17.0015  -18.5010
            11  C1x C    20.7166  -16.1318
            12  C1x C    21.5217  -15.0133
            13  C5x C    20.7067  -13.9020
            14  O5x O    21.1512  -12.5119
            15  C6a C    17.0076  -19.8800
            16  O6a O    18.2249  -20.5757
            17  O6a O    15.8001  -20.5843
BOND        18
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Up
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     6   9 2
            9     6   8 1
            10    7  10 1
            11    1  11 1
            12   11  12 1
            13   12  13 1
            14    2  13 1
            15   13  14 2
            16   10  15 1
            17   15  16 2
            18   15  17 1

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