KEGG   COMPOUND: C02006
Entry
C02006                      Compound                               

Name
Aspulvinone E;
(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-2(5H)-furanone
Formula
C17H12O5
Exact mass
296.0685
Mol weight
296.2742
Structure
Reaction
Enzyme
Other DBs
CAS: 49637-60-7
PubChem: 5102
ChEBI: 17704
ChEMBL: CHEMBL2337339
3DMET: B00382
NIKKAJI: J10.369A
KCF data

ATOM        22
            1   C8x C    13.5100  -19.3200
            2   C8y C    13.5100  -20.7200
            3   C8x C    14.7224  -21.4200
            4   C8x C    15.9349  -20.7200
            5   C8y C    15.9349  -19.3200
            6   C8x C    14.7224  -18.6200
            7   O1a O    12.2976  -21.4200
            8   C2y C    17.1606  -18.6037
            9   C2y C    18.5498  -18.6448
            10  C2y C    19.0181  -17.3363
            11  O7x O    17.9184  -16.4865
            12  C7x C    16.7704  -17.2699
            13  O6a O    15.4332  -16.7911
            14  C2b C    20.3840  -16.9369
            15  C8y C    20.3840  -15.5369
            16  C8x C    21.5846  -14.8437
            17  C8x C    21.5845  -13.4437
            18  C8y C    20.3721  -12.7438
            19  C8x C    19.1715  -13.4370
            20  C8x C    19.1715  -14.8370
            21  O1a O    20.3720  -11.3400
            22  O1a O    19.3275  -19.7842
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14   12  13 2
            15   10  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24    9  22 1

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