KEGG   COMPOUND: C20534Help
Entry
C20534                      Compound                               

Name
12-Demethyl-11,12-dehydropaspaline
Formula
C27H35NO2
Exact mass
405.2668
Mol weight
405.5723
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 172232280
ChEMBL: CHEMBL2408950
KCF data Show

ATOM        30
            1   C8x C    11.4902  -15.1421
            2   C8x C    11.4902  -16.5468
            3   C8x C    12.6842  -17.1789
            4   C8y C    13.8782  -16.5468
            5   C8y C    13.8782  -15.1421
            6   C8x C    12.6842  -14.4398
            7   N4x N    15.2126  -16.9682
            8   C8y C    16.0554  -15.8445
            9   C8y C    15.2126  -14.7207
            10  C1z C    17.3196  -15.4231
            11  C1y C    17.3196  -14.0184
            12  C1x C    16.0554  -13.5970
            13  C1z C    18.5838  -16.0551
            14  C1y C    19.7777  -15.4231
            15  C1x C    19.7777  -14.0184
            16  C1x C    18.5838  -13.3161
            17  C1x C    18.5838  -17.4598
            18  C1x C    19.7777  -18.1621
            19  C1y C    20.9717  -17.4598
            20  C2y C    20.9717  -16.0551
            21  O2x O    22.1656  -18.1621
            22  C1y C    23.3596  -17.4598
            23  C1x C    23.3596  -16.0551
            24  C2x C    22.1656  -15.4231
            25  C1a C    17.3198  -16.8277
            26  C1d C    24.6238  -18.1621
            27  C1a C    18.0219  -14.5803
            28  O1a O    25.8178  -17.4598
            29  C1a C    24.6238  -19.7775
            30  C1a C    25.8178  -18.8645
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14    9  12 1
            15   10  13 1
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   11  16 1
            20   13  17 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   14  20 1
            25   19  21 1
            26   21  22 1
            27   22  23 1
            28   23  24 1
            29   20  24 2
            30   10  25 1 #Down
            31   22  26 1 #Up
            32   13  27 1 #Up
            33   26  28 1
            34   26  29 1
            35   26  30 1

» Japanese version

DBGET integrated database retrieval system