KEGG   COMPOUND: C08588Help
Entry
C08588                      Compound                               

Name
Crocetin;
8,8'-Diapocarotene-8,8'-dioic acid
Formula
C20H24O4
Exact mass
328.1675
Mol weight
328.4022
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010401 Acyclic diterpenoids
     C08588  Crocetin
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Crocetin
    C08588  Crocetin
BRITE hierarchy
Other DBs
CAS: 
27876-94-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        24
            1   C2b C    35.0062  -17.8484
            2   C2c C    36.2191  -18.5516
            3   C2b C    33.7992  -18.5516
            4   C6a C    37.4320  -17.8484
            5   C1a C    36.2191  -19.9519
            6   C2b C    32.5863  -17.8484
            7   O6a O    37.4320  -16.4481
            8   O6a O    38.6391  -18.5516
            9   C2c C    31.3794  -18.5516
            10  C2b C    30.1665  -17.8484
            11  C1a C    31.3794  -19.9519
            12  C2b C    28.9536  -18.5516
            13  C2b C    27.7464  -17.8484
            14  C2b C    26.5335  -18.5516
            15  C2c C    25.3206  -17.8484
            16  C2b C    24.1137  -18.5516
            17  C1a C    25.3206  -16.4481
            18  C2b C    22.9008  -17.8484
            19  C2b C    21.6938  -18.5516
            20  C2c C    20.4809  -17.8484
            21  C6a C    19.2680  -18.5516
            22  C1a C    20.4809  -16.4481
            23  O6a O    19.2680  -19.9519
            24  O6a O    18.0609  -17.8484
BOND        23
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     4   8 1
            8     6   9 1
            9     9  10 2
            10    9  11 1
            11   10  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   15  17 1
            17   16  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22   21  23 2
            23   21  24 1

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