KEGG   COMPOUND: C20437Help
Entry
C20437                      Compound                               

Name
Fumigaclavine B;
6,8-alpha-Dimethylergolin-9-beta-ol
Formula
C16H20N2O
Exact mass
256.1576
Mol weight
256.3428
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 6879-93-2
PubChem: 163312174
ChEMBL: CHEMBL2229125
KCF data Show

ATOM        19
            1   C8y C    17.4353  -17.8737
            2   C8y C    17.4411  -16.5153
            3   C8y C    18.6103  -18.5622
            4   C8y C    16.1904  -18.5563
            5   C1y C    18.6220  -15.8440
            6   C8x C    16.2662  -15.8383
            7   C1x C    19.7910  -17.8924
            8   C8x C    18.6103  -19.8637
            9   N4x N    16.1845  -19.8461
            10  C8x C    15.0970  -17.8737
            11  C1y C    19.7910  -16.5326
            12  C1y C    18.6336  -14.4974
            13  C8x C    15.0970  -16.5153
            14  N1y N    20.9791  -15.8745
            15  C1y C    19.8216  -13.8203
            16  C1x C    20.9907  -14.5148
            17  C1a C    22.1363  -16.5385
            18  C1a C    19.8157  -12.4618
            19  O1a O    17.3531  -13.8089
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1
            17   15  18 1 #Down
            18    7  11 1
            19    8   9 1
            20   10  13 2
            21   15  16 1
            22   12  19 1 #Up

» Japanese version

DBGET integrated database retrieval system