KEGG   COMPOUND: C20214Help
Entry
C20214                      Compound                               

Name
Andrographolide
Formula
C20H30O5
Exact mass
350.2093
Mol weight
350.4492
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Labdanes
    C20214  Andrographolide
BRITE hierarchy
Other DBs
CAS: 5508-58-7
PubChem: 163311957
ChEBI: 65408
ChEMBL: CHEMBL1705045 CHEMBL186141 CHEMBL3039358
KNApSAcK: C00023362
LinkDB All DBs
KCF data Show

ATOM        25
            1   C2y C    16.2096  -16.9971
            2   C1x C    16.2096  -18.4016
            3   C1x C    17.4259  -19.1039
            4   C1y C    18.6423  -18.4016
            5   C1z C    18.6423  -16.9971
            6   C1y C    17.4259  -16.2949
            7   C1z C    19.8586  -19.1039
            8   C1y C    21.0749  -18.4016
            9   C1x C    21.0749  -16.9971
            10  C1x C    19.8586  -16.2949
            11  O1a O    22.2763  -19.0954
            12  C1b C    19.2968  -20.3202
            13  C1b C    17.4259  -14.8904
            14  C1a C    18.6423  -15.5926
            15  C2b C    18.6252  -14.1978
            16  C2y C    18.6252  -12.7933
            17  C7x C    19.7558  -11.9664
            18  O7x O    19.3153  -10.6328
            19  C1x C    17.9108  -10.6395
            20  C1y C    17.4832  -11.9774
            21  O6a O    21.0542  -12.3822
            22  O1a O    16.1316  -12.4256
            23  C1a C    20.8531  -20.0984
            24  O1a O    19.2968  -21.7247
            25  C2a C    14.9933  -16.2949
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Up
            13    7  12 1 #Up
            14    6  13 1 #Up
            15    5  14 1 #Up
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  20 1
            23   17  21 2
            24   20  22 1 #Down
            25    7  23 1 #Down
            26   12  24 1
            27    1  25 2

» Japanese version

DBGET integrated database retrieval system