KEGG   COMPOUND: C08527
Entry
C08527                      Compound                               

Name
Haemanthamine;
Hemanthamine;
(3beta,5alpha,11R,13beta,19alpha)-1,2-Didehydro-3-methoxycrinan-11-ol;
(+)-Haemanthamine
Formula
C17H19NO4
Exact mass
301.1314
Mol weight
301.3371
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C08527  Haemanthamine
Other DBs
CAS: 466-75-1
PubChem: 10720
ChEBI: 5600
ChEMBL: CHEMBL401114
KNApSAcK: C00001571
PDB-CCD: HN8[PDBj]
3DMET: B02197
NIKKAJI: J82.226D
KCF data

ATOM        22
            1   C1z C    27.0532  -17.4251
            2   C8y C    25.9251  -18.0740
            3   C1y C    28.1755  -18.0798
            4   C1y C    28.2046  -16.7413
            5   C2x C    27.0006  -16.0165
            6   C8y C    25.9251  -19.3775
            7   C8x C    24.7910  -17.4310
            8   N1y N    28.1755  -19.3833
            9   C1x C    29.2978  -17.4368
            10  C1x C    29.3270  -18.6878
            11  O1a O    30.8585  -17.5712
            12  C2x C    28.1755  -15.4845
            13  C1x C    27.0474  -20.0263
            14  C8x C    24.8027  -20.0322
            15  C8y C    23.6629  -18.0857
            16  C1y C    29.2978  -16.1334
            17  C8y C    23.6689  -19.3775
            18  O2x O    22.4355  -17.6882
            19  O2a O    30.4610  -15.4554
            20  O2x O    22.4413  -19.7749
            21  C1x C    21.6815  -18.7344
            22  C1a C    31.6183  -16.1217
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1 #Up
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 2
            15    9  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 1 #Up
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22    8  10 1 #Down
            23    8  13 1
            24   12  16 1
            25   15  17 1
            26   20  21 1

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