KEGG   COMPOUND: C08468
Entry
C08468                      Compound                               
Name
Acremoauxin A;
2-(3-Indolyl)propanoylmannitol
Formula
C16H21NO6
Exact mass
323.1369
Mol weight
323.341
Structure
Other DBs
CAS: 125537-93-1
PubChem: 10661
ChEBI: 2431
KNApSAcK: C00001524
NIKKAJI: J365.880E
LinkDB
KCF data

ATOM        23
            1   O7a O    25.3892  -16.2902
            2   C1b C    24.1804  -15.5792
            3   C1c C    22.9717  -16.2902
            4   C1c C    21.7629  -15.5792
            5   O1a O    22.9717  -17.6412
            6   C1c C    20.5542  -16.2902
            7   O1a O    21.7629  -14.2282
            8   C1b C    19.4165  -15.5792
            9   O1a O    20.5542  -17.6412
            10  O1a O    18.2078  -16.2902
            11  C7a C    26.5979  -15.5792
            12  C1c C    27.8352  -16.2802
            13  C8y C    29.0352  -15.5741
            14  O6a O    26.5863  -14.1571
            15  C1a C    27.8471  -17.7117
            16  C8y C    30.3241  -16.1355
            17  C8y C    31.2563  -15.0832
            18  N4x N    30.5435  -13.8714
            19  C8x C    29.1708  -14.1748
            20  C8x C    30.7745  -17.4843
            21  C8x C    32.1679  -17.7687
            22  C8x C    33.1000  -16.7163
            23  C8x C    32.6496  -15.3675
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Up
            5     4   6 1
            6     4   7 1 #Up
            7     6   8 1
            8     6   9 1 #Down
            9     8  10 1
            10    1  11 1
            11   11  12 1
            12   12  13 1
            13   11  14 2
            14   12  15 1 #Up
            15   13  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   13  19 2
            20   16  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   17  23 2

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