KEGG   COMPOUND: C09324Help
Entry
C09324                      Compound                               

Name
(+)-Adlumine
Formula
C21H21NO6
Exact mass
383.1369
Mol weight
383.3945
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09324  (+)-Adlumine
BRITE hierarchy
Other DBs
CAS: 524-46-9
PubChem: 11515
ChEBI: 9
ChEMBL: CHEMBL510121
KNApSAcK: C00001792
3DMET: B02863
NIKKAJI: J15.238B
KCF data Show

ATOM        28
            1   C8x C    25.9671  -17.5589
            2   C8x C    24.7495  -18.2483
            3   C8y C    27.1781  -18.2653
            4   C8y C    27.1657  -19.6675
            5   C7x C    28.4888  -20.1172
            6   O7x O    29.3256  -18.9886
            7   C1y C    28.5855  -17.8459
            8   C1y C    28.5309  -16.4398
            9   C8y C    27.3127  -15.7410
            10  N1y N    29.7479  -15.7527
            11  C8y C    27.3184  -14.3365
            12  C8x C    26.1120  -16.4398
            13  C1x C    29.7537  -14.3424
            14  C1a C    30.9604  -16.4456
            15  C8x C    26.1120  -13.6249
            16  C1x C    28.5425  -13.6306
            17  C8y C    24.8878  -15.7410
            18  C8y C    24.8878  -14.3365
            19  O2a O    23.6694  -16.4398
            20  O2a O    23.6694  -13.6249
            21  C1a C    22.4513  -15.7410
            22  C1a C    22.4513  -14.3249
            23  O6a O    28.9147  -21.4531
            24  C8y C    25.9499  -20.3583
            25  C8y C    24.8119  -19.6514
            26  O2x O    23.6981  -20.5843
            27  C1x C    24.2584  -21.8633
            28  O2x O    25.6482  -21.7237
BOND        32
            1    24   4 1
            2     3   1 1
            3     3   4 2
            4     4   5 1
            5     7   8 1
            6     8   9 1
            7     8  10 1
            8     9  11 2
            9     9  12 1
            10   10  13 1
            11   10  14 1
            12   11  15 1
            13   11  16 1
            14   12  17 2
            15   15  18 2
            16   17  19 1
            17   18  20 1
            18   19  21 1
            19   20  22 1
            20   13  16 1
            21   17  18 1
            22    5   6 1
            23    5  23 2
            24    6   7 1
            25    7   3 1
            26    1   2 2
            27    2  25 1
            28   24  25 2
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  24 1

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