KEGG   COMPOUND: C09186
Entry
C09186                      Compound                               

Name
Sorgolactone
Formula
C18H20O5
Exact mass
316.1311
Mol weight
316.3484
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C09186  Sorgolactone
Other DBs
CAS: 141262-39-7
PubChem: 11378
ChEBI: 9205
ChEMBL: CHEMBL2270920
KNApSAcK: C00003483
3DMET: B02752
NIKKAJI: J634.736C
KCF data

ATOM        23
            1   O2a O    26.6479  -16.1878
            2   C1y C    27.6471  -17.0116
            3   C2x C    28.0036  -18.3611
            4   O7x O    28.8157  -16.2578
            5   C2y C    29.3998  -18.3612
            6   C7x C    29.9022  -17.1283
            7   C1a C    30.1651  -19.6115
            8   O6a O    31.2576  -16.7661
            9   C1y C    23.3587  -13.2762
            10  C1y C    24.1826  -14.4156
            11  C2y C    22.0326  -13.7086
            12  O7x O    24.1884  -12.1429
            13  C2y C    25.5204  -13.9773
            14  C1x C    23.3587  -15.5314
            15  C2y C    22.0326  -15.1050
            16  C1y C    20.8173  -13.0017
            17  C7x C    25.5204  -12.5751
            18  C1x C    20.8173  -15.8118
            19  C1x C    19.5964  -13.7028
            20  O6a O    26.6539  -11.7573
            21  C1x C    19.5964  -15.1050
            22  C2b C    26.6522  -14.7975
            23  C1a C    20.8069  -11.5997
BOND        26
            1     5   6 1
            2     1   2 1
            3     2   3 1
            4     2   4 1
            5     3   5 2
            6     4   6 1
            7     5   7 1
            8     9  10 1
            9     9  11 1
            10    9  12 1
            11   10  13 1
            12   10  14 1
            13   11  15 2
            14   11  16 1
            15   12  17 1
            16   15  18 1
            17   16  19 1
            18   17  20 2
            19   18  21 1
            20   13  17 1
            21   14  15 1
            22   19  21 1
            23    6   8 2
            24   13  22 2
            25   22   1 1
            26   16  23 1 #Down

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