KEGG   COMPOUND: C12397Help
Entry
C12397                      Compound                               

Name
Tetrangulol
Formula
C19H12O4
Exact mass
304.0736
Mol weight
304.2962
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 7414-92-8
PubChem: 582787
ChEBI: 32212
ChEMBL: CHEMBL1668340
3DMET: B04480
NIKKAJI: J797.618F
KCF data Show

ATOM        23
            1   C8y C    27.4091  -17.4934
            2   C8y C    26.1254  -18.2351
            3   C8y C    26.1265  -19.7167
            4   C8x C    27.4112  -20.4564
            5   C8y C    28.6949  -19.7147
            6   C8x C    28.6940  -18.2333
            7   C8y C    24.8417  -16.0100
            8   C8y C    24.8417  -17.4934
            9   C8x C    27.4135  -16.0100
            10  C8x C    26.1275  -15.2587
            11  C8x C    20.3914  -17.5124
            12  C8x C    21.5040  -18.1400
            13  C8y C    22.6166  -17.5028
            14  C5x C    23.7291  -18.1400
            15  C8x C    20.3969  -16.0194
            16  C8y C    21.4944  -15.3728
            17  C8y C    22.6166  -16.0100
            18  C5x C    23.7291  -15.3632
            19  O1a O    21.4851  -14.0795
            20  O5x O    23.7195  -14.0702
            21  O5x O    23.7355  -19.4237
            22  O1a O    24.8321  -20.4411
            23  C1a C    29.9766  -20.4411
BOND        26
            1     5   6 2
            2    11  12 1
            3     6   1 1
            4    12  13 2
            5    13  14 1
            6    14   8 1
            7     1   2 2
            8    11  15 2
            9     2   3 1
            10   15  16 1
            11    3   4 2
            12   16  17 2
            13    7   8 2
            14   17  18 1
            15   18   7 1
            16    8   2 1
            17   16  19 1
            18    1   9 1
            19   18  20 2
            20   13  17 1
            21    9  10 2
            22   14  21 2
            23   10   7 1
            24    3  22 1
            25    4   5 1
            26    5  23 1

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