KEGG   COMPOUND: C09502
Entry
C09502                      Compound                               
Name
Mellitoxin;
Hyenanchin
Formula
C15H18O7
Exact mass
310.1053
Mol weight
310.2992
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09502  Mellitoxin
Other DBs
CAS: 3484-46-6
PubChem: 11693
ChEBI: 6737
KNApSAcK: C00003324
3DMET: B03026
NIKKAJI: J9.859K
LinkDB
KCF data

ATOM        22
            1   C1z C    25.1801  -13.0577
            2   C1z C    24.8927  -14.4145
            3   C1y C    26.5542  -12.9196
            4   C1x C    23.8404  -12.7127
            5   O2x O    24.8178  -11.7179
            6   C1z C    26.0885  -15.0988
            7   C1y C    23.6910  -15.0988
            8   C1a C    23.6851  -13.4388
            9   C1y C    27.1120  -14.1730
            10  O2x O    27.9170  -13.0519
            11  C1y C    26.0885  -16.4844
            12  O1a O    27.2787  -15.7887
            13  C1y C    23.6910  -16.4844
            14  O1a O    22.3493  -14.5545
            15  C1z C    24.8927  -17.1802
            16  O7x O    23.7081  -17.7063
            17  C2c C    24.8983  -18.5601
            18  O1a O    24.8253  -15.8981
            19  O6a O    27.1862  -18.4021
            20  C1a C    23.9094  -19.5317
            21  C2a C    25.8758  -19.5317
            22  C7x C    26.0720  -17.7051
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    7  14 1 #Up
            14   15  11 1
            15   13  16 1 #Up
            16   15  17 1 #Down
            17   15  18 1 #Up
            18   22  19 2
            19   17  20 1
            20   17  21 2
            21    4   5 1
            22    6   9 1
            23    9  10 1
            24   13  15 1
            25   22  16 1
            26   11  22 1 #Up

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