KEGG   COMPOUND: C18088
Entry
C18088                      Compound                               
Name
2'-Hydroxy-MDCA
Formula
C9H7O3R
Structure
Comment
Generic compound
R = CO2H or CO-SCoA
Other DBs
PubChem: 96024305
ChEBI: 81492
KCF data

ATOM        13
            1   C8y C    31.5834  -24.8754
            2   C8y C    31.5834  -26.2729
            3   C8x C    32.7713  -26.9717
            4   C8y C    34.0290  -26.2729
            5   C8y C    34.0290  -24.8754
            6   C8x C    32.7713  -24.1767
            7   O1a O    35.2169  -26.9717
            8   C2b C    35.2169  -24.1767
            9   C2b C    36.4047  -24.8754
            10  R   R    37.5926  -24.1767
            11  O2x O    30.2558  -24.3863
            12  C1x C    29.4173  -25.5742
            13  O2x O    30.2558  -26.6922
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11    1  11 1
            12   11  12 1
            13   12  13 1
            14    2  13 1

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Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (2)   

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