KEGG   COMPOUND: C10338
Entry
C10338                      Compound                               
Name
Echinone;
6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione
Formula
C19H20O6
Exact mass
344.126
Mol weight
344.3585
Structure
Other DBs
CAS: 80348-65-8
PubChem: 12524
ChEBI: 4748
KNApSAcK: C00002820
3DMET: B03753
NIKKAJI: J185.426G
LinkDB
KCF data

ATOM        25
            1   C8y C    31.0012  -19.8623
            2   C8y C    29.7953  -19.1689
            3   C8y C    30.9954  -21.2663
            4   C5x C    32.2189  -19.1748
            5   C8y C    28.5834  -19.8623
            6   O2a O    29.8011  -17.7648
            7   C8y C    29.7953  -21.9714
            8   C5x C    32.2072  -21.9771
            9   C2x C    33.4308  -19.8739
            10  O5x O    32.2248  -17.7707
            11  C1c C    27.3716  -19.1689
            12  C8x C    28.5834  -21.2663
            13  O1a O    29.8011  -23.3697
            14  C2x C    33.4949  -21.2780
            15  O5x O    32.2015  -23.3754
            16  C1b C    26.1596  -19.8564
            17  O7a O    27.3716  -17.7648
            18  C2b C    24.9479  -19.1631
            19  C7a C    26.1596  -17.0657
            20  C2c C    23.7359  -19.8506
            21  C1a C    24.9479  -17.7648
            22  O6a O    26.1596  -15.6616
            23  C1a C    22.5242  -19.1515
            24  C1a C    23.7359  -21.2547
            25  C1a C    31.0238  -17.0653
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13    8  14 1
            14    8  15 2
            15   11  16 1
            16   11  17 1 #Down
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   20  24 1
            24    7  12 2
            25    9  14 2
            26    6  25 1

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