KEGG   COMPOUND: C09958
Entry
C09958                      Compound                               
Name
Orthosporin
Formula
C12H12O5
Exact mass
236.0685
Mol weight
236.2207
Structure
Other DBs
CAS: 118063-79-9
PubChem: 12144
ChEBI: 7795
KNApSAcK: C00003010
3DMET: B03412
NIKKAJI: J1.601.464H
LinkDB
KCF data

ATOM        17
            1   C8y C    26.8021  -18.1623
            2   C8y C    26.8078  -19.5610
            3   C8x C    28.0142  -17.4573
            4   C8x C    25.6015  -17.4630
            5   C8y C    28.0258  -20.2603
            6   C8y C    25.6015  -20.2662
            7   C8y C    29.2321  -18.1507
            8   C8y C    24.3836  -18.1623
            9   O7x O    29.2380  -19.5552
            10  O6a O    28.0317  -21.6647
            11  C8x C    24.3836  -19.5610
            12  O1a O    25.6015  -21.6706
            13  C1b C    30.4384  -17.4573
            14  O1a O    23.1657  -17.4630
            15  C1c C    31.6505  -18.1566
            16  C1a C    32.8511  -17.4630
            17  O1a O    31.6448  -19.5552
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   13  15 1
            15   15  16 1
            16   15  17 1 #Down
            17    7   9 1
            18    8  11 1

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