KEGG   COMPOUND: C10695
Entry
C10695                      Compound                               

Name
Humulone
Formula
C21H30O5
Exact mass
362.2093
Mol weight
362.4599
Structure
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Others
   Phloroglucinols
    C10695  Humulone
Other DBs
CAS: 23510-81-8
PubChem: 12878
ChEBI: 5769
ChEMBL: CHEMBL3814665
KNApSAcK: C00002697
3DMET: B04069
NIKKAJI: J167.391B
KCF data

ATOM        26
            1   C2y C    27.6429  -17.6063
            2   C1z C    27.6429  -19.0073
            3   C5x C    28.8602  -19.7113
            4   C2y C    30.0703  -19.0073
            5   C2y C    30.0703  -17.6063
            6   C2y C    28.8602  -16.9093
            7   C1b C    26.4321  -19.7113
            8   C2b C    25.2211  -19.0073
            9   C2c C    24.0173  -19.7113
            10  C1a C    22.8063  -19.0073
            11  C5a C    31.2757  -19.7043
            12  C1b C    32.4867  -19.0003
            13  C1c C    33.6906  -19.6972
            14  C1a C    34.9015  -18.9932
            15  O5a O    31.2774  -21.1052
            16  O5x O    28.8619  -21.1123
            17  C1a C    24.0173  -21.1123
            18  C1a C    33.6936  -21.0983
            19  O1a O    31.2850  -16.9101
            20  O1a O    26.4291  -16.9086
            21  C1b C    28.8619  -15.5082
            22  C2b C    30.0771  -14.8058
            23  C2c C    30.0787  -13.4048
            24  C1a C    31.2939  -12.7093
            25  C1a C    28.8654  -12.7063
            26  O1a O    27.6360  -20.4082
BOND        26
            1    12  13 1
            2    13  14 1
            3     2   7 1 #Up
            4    11  15 2
            5     1   2 1
            6     3  16 2
            7     7   8 1
            8     9  17 1
            9     2   3 1
            10   13  18 1
            11    8   9 2
            12    5  19 1
            13    3   4 1
            14    1  20 1
            15    9  10 1
            16    6  21 1
            17    4   5 2
            18   21  22 1
            19    4  11 1
            20   22  23 2
            21    5   6 1
            22   23  24 1
            23   11  12 1
            24   23  25 1
            25    6   1 2
            26    2  26 1 #Down

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