KEGG   COMPOUND: C11446
Entry
C11446                      Compound                               
Name
4-Dihydroxyethyl-8,9-epoxy-enediyne
Formula
C14H10O3
Exact mass
226.063
Mol weight
226.2274
Structure
Other DBs
PubChem: 13618
ChEBI: 1826
NIKKAJI: J2.774.464H
LinkDB
KCF data

ATOM        17
            1   C2y C    29.8785  -19.7767
            2   C1c C    31.1014  -19.0694
            3   C1b C    32.3320  -19.7767
            4   O1a O    31.1014  -17.6547
            5   C1z C    25.4728  -19.8820
            6   C2y C    25.8959  -18.5812
            7   C2x C    24.7870  -17.7744
            8   C2x C    23.6785  -18.5812
            9   C2x C    24.1014  -19.8820
            10  C0  C    27.2628  -18.9933
            11  C0  C    28.5670  -19.3814
            12  C2x C    29.8833  -20.9868
            13  C0  C    28.7075  -21.4748
            14  C0  C    27.1925  -21.4745
            15  C1y C    25.8135  -21.4720
            16  O2x O    24.4353  -20.9353
            17  O1a O    33.5344  -19.0796
BOND        19
            1     7   8 1
            2     8   9 2
            3     9   5 1
            4     2   3 1
            5     6  10 1
            6     1   2 1
            7    10  11 3
            8    11   1 1
            9     2   4 1 #Up
            10    1  12 2
            11   12  13 1
            12   13  14 3
            13    5   6 1
            14    5  15 1
            15   14  15 1
            16    6   7 2
            17    5  16 1 #Down
            18   15  16 1 #Down
            19    3  17 1

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