KEGG   COMPOUND: C09112Help
Entry
C09112                      Compound                               

Name
Ingenol
Formula
C20H28O5
Exact mass
348.1937
Mol weight
348.4333
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09112  Ingenol
BRITE hierarchy
Other DBs
CAS: 30220-46-3
PubChem: 11304
ChEBI: 5922
ChEMBL: CHEMBL2165402 CHEMBL346507
KNApSAcK: C00003439
NIKKAJI: J315.813F
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1z C    24.9900  -20.6500
            2   C1z C    24.9900  -22.0500
            3   C1y C    26.1800  -22.7500
            4   C2y C    27.4400  -22.0500
            5   C1x C    27.4400  -20.6500
            6   C1y C    26.1800  -19.9500
            7   C2x C    28.6300  -22.7500
            8   C1y C    29.8200  -22.0500
            9   C1y C    29.8200  -20.6500
            10  C1y C    28.6300  -19.9500
            11  C2x C    23.6600  -20.2300
            12  C2y C    22.8200  -21.3500
            13  C1y C    23.6600  -22.4700
            14  O1a O    23.2400  -23.8000
            15  C1a C    21.4200  -21.3500
            16  C1a C    25.8300  -18.8300
            17  O1a O    24.8500  -23.4500
            18  O1a O    26.1800  -24.1500
            19  C1b C    27.4400  -23.4500
            20  O1a O    28.6300  -24.1500
            21  C1z C    29.8200  -19.2500
            22  C1a C    29.8200  -17.8500
            23  C1a C    31.0100  -18.5500
            24  C5x C    24.9900  -15.3300
            25  O5x O    24.5700  -14.0000
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     5   6 1
            5     1   6 1
            6     4   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 1
            11    1  11 1
            12   11  12 2
            13   12  13 1
            14    2  13 1
            15   13  14 1 #Up
            16   12  15 1
            17    6  16 1 #Down
            18    2  17 1 #Up
            19    3  18 1 #Up
            20    4  19 1
            21   19  20 1
            22   10  21 1 #Up
            23   21  22 1
            24   21  23 1
            25    9  21 1 #Up
            26    1  24 1 #Down
            27    8  24 1 #Up
            28   24  25 2

» Japanese version

DBGET integrated database retrieval system