KEGG   COMPOUND: C08402Help
Entry
C08402                      Compound                               

Name
Cicutoxin
Formula
C17H22O2
Exact mass
258.162
Mol weight
258.3554
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Polyynes
    C08402  Cicutoxin
Natural toxins [BR:br08009]
 Phytotoxins
  Others
   Polyynes
    C08402  Cicutoxin
BRITE hierarchy
Other DBs
CAS: 505-75-9
PubChem: 10598
ChEBI: 3695
ChEMBL: CHEMBL140367
LIPIDMAPS: LMFA05000647
KNApSAcK: C00001277
NIKKAJI: J6.227H
LinkDB All DBs
KCF data Show

ATOM        19
            1   C2b C    20.6746  -15.7287
            2   C2b C    21.8916  -16.4274
            3   C2b C    19.4636  -16.4274
            4   C2b C    23.1026  -15.7287
            5   C1c C    18.2524  -15.7287
            6   C2b C    24.3196  -16.4274
            7   C1b C    17.0354  -16.4274
            8   O1a O    18.2524  -14.3255
            9   C2b C    25.5249  -15.7287
            10  C1b C    15.8244  -15.7287
            11  C3b C    26.7361  -16.4274
            12  C1a C    14.6190  -16.4274
            13  C3b C    27.9531  -17.1262
            14  C3b C    29.1641  -17.8308
            15  C3b C    30.3811  -18.5236
            16  C1b C    31.5921  -19.2283
            17  C1b C    32.8033  -18.5236
            18  C1b C    34.0203  -19.2283
            19  O1a O    35.2254  -18.5236
BOND        18
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     5   8 1 #Up
            8     6   9 2
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 3
            13   13  14 1
            14   14  15 3
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1

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