KEGG   COMPOUND: C09931Help
Entry
C09931                      Compound                               

Name
Haematoxylin;
Natural Black 1;
C.I. 75290
Formula
C16H14O6
Exact mass
302.079
Mol weight
302.2788
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1210 Neoflavonoids
    C09931  Haematoxylin
BRITE hierarchy
Other DBs
CAS: 517-28-2
PubChem: 12117
ChEBI: 5601
ChEMBL: CHEMBL477197
KNApSAcK: C00002993
3DMET: B03389
NIKKAJI: J237.301G
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    25.1533  -17.7043
            2   C8y C    23.8226  -17.2783
            3   C8y C    26.3731  -16.9982
            4   C1z C    25.1533  -19.0993
            5   C8y C    23.0054  -18.4047
            6   C8x C    23.2624  -16.0001
            7   C8y C    27.5813  -17.7043
            8   C8x C    26.3790  -15.5974
            9   C1x C    23.8226  -19.5311
            10  C1x C    26.3731  -19.8055
            11  O1a O    25.1475  -20.5059
            12  C8x C    21.6223  -18.2531
            13  C8y C    21.8733  -15.8542
            14  O2x O    27.5813  -19.0993
            15  C8y C    28.8652  -17.0099
            16  C8x C    27.5987  -14.9030
            17  C8y C    21.0504  -16.9806
            18  O1a O    21.3014  -14.5702
            19  C8y C    28.8068  -15.6149
            20  O1a O    30.0092  -17.7160
            21  O1a O    19.6553  -16.8289
            22  O1a O    30.0267  -14.9147
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    4  11 1 #Up
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 1
            15    8  16 2
            16   12  17 2
            17   13  18 1
            18   15  19 2
            19   15  20 1
            20   17  21 1
            21   19  22 1
            22    5   9 1
            23   10  14 1
            24   13  17 1
            25   16  19 1

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