KEGG   COMPOUND: C08525Help
Entry
C08525                      Compound                               

Name
Crinamine;
(3alpha,5alpha,11R,13beta,19alpha)-1, 2-Didehydro-3-methoxycrinan-11-ol
Formula
C17H19NO4
Exact mass
301.1314
Mol weight
301.3371
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C08525  Crinamine
BRITE hierarchy
Other DBs
CAS: 639-41-8
PubChem: 10718
ChEBI: 3914
ChEMBL: CHEMBL516991
KNApSAcK: C00001569
3DMET: B02195
NIKKAJI: J22.568A
KCF data Show

ATOM        22
            1   C1z C    27.1253  -17.4120
            2   C8y C    25.9805  -18.0311
            3   C1y C    28.2294  -18.0953
            4   C1y C    28.2876  -16.7518
            5   C2x C    27.1778  -16.0042
            6   C8y C    25.9455  -19.3278
            7   C8x C    24.8648  -17.3593
            8   N1y N    28.2001  -19.3920
            9   C1x C    29.3683  -17.4704
            10  C1x C    29.3624  -18.7261
            11  O1a O    30.9279  -17.6515
            12  C2x C    28.2876  -15.5019
            13  C1x C    27.0551  -20.0112
            14  C8x C    24.8123  -19.9528
            15  C8y C    23.7200  -17.9903
            16  C1y C    29.3975  -16.1795
            17  C8y C    23.7083  -19.2869
            18  O2x O    22.4992  -17.5637
            19  O2a O    30.5657  -15.5253
            20  O2x O    22.4642  -19.6665
            21  C1x C    21.7165  -18.6034
            22  C1a C    31.7281  -16.1912
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 #Down
            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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