KEGG   COMPOUND: C01448
Entry
C01448                      Compound                               

Name
Questin
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Reaction
Enzyme
1.14.13.43      2.1.1.283
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C01448  Questin
Other DBs
CAS: 3774-64-9
PubChem: 4625
ChEBI: 16200
ChEMBL: CHEMBL453315
KNApSAcK: C00000570 C00033337
3DMET: B00291
NIKKAJI: J13.495C
KCF data

ATOM        21
            1   C8y C    23.3663  -15.8395
            2   C8y C    23.3726  -17.2509
            3   C5x C    22.1456  -15.1338
            4   C8y C    24.5869  -15.1083
            5   C5x C    22.1519  -17.9438
            6   C8x C    24.6123  -17.9502
            7   C8y C    20.9314  -15.8458
            8   O5x O    22.1394  -13.9641
            9   C8x C    25.8203  -15.8141
            10  O2a O    24.5679  -13.9387
            11  C8y C    20.9314  -17.2445
            12  O5x O    22.1519  -19.3299
            13  C8y C    25.8458  -17.2382
            14  C8y C    19.7171  -15.1528
            15  C1a C    25.7567  -13.2331
            16  C8x C    19.7171  -17.9502
            17  O1a O    26.9773  -17.9248
            18  C8x C    18.5218  -15.8458
            19  O1a O    19.7171  -13.9133
            20  C8y C    18.5218  -17.2445
            21  C1a C    17.4603  -17.8610
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   14  18 2
            18   14  19 1
            19   16  20 2
            20   20  21 1
            21    7  11 2
            22    9  13 2
            23   18  20 1

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