KEGG   COMPOUND: C14613
Entry
C14613                      Compound                               
Name
Allenolic acid;
6-Hydroxy-2-naphthalenepropanoic acid
Formula
C13H12O3
Exact mass
216.0786
Mol weight
216.2326
Structure
Other DBs
CAS: 553-39-9
PubChem: 17395613
ChEBI: 34529
NIKKAJI: J11.552E
LinkDB
KCF data

ATOM        16
            1   C8x C    19.7611  -22.6560
            2   C8y C    19.7611  -24.0571
            3   C8x C    20.9713  -24.7541
            4   C8x C    20.9713  -21.9520
            5   C8y C    22.1814  -22.6560
            6   C8y C    22.1755  -24.0571
            7   C8x C    23.3866  -24.7591
            8   C8x C    24.6739  -24.0674
            9   C8y C    24.6100  -22.6663
            10  C8x C    23.3986  -21.9572
            11  C1b C    25.8159  -21.9520
            12  O1a O    18.5232  -24.7724
            13  C1b C    27.0589  -22.6507
            14  C6a C    28.2727  -21.9309
            15  O6a O    29.4898  -22.6146
            16  O6a O    28.2560  -20.5102
BOND        17
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     4   1 2
            6     5   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10   5 1
            12    9  11 1
            13    2  12 1
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 2

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