KEGG   COMPOUND: C10516
Entry
C10516                      Compound                               

Name
Pisatin;
(+)-Pisatin
Formula
C17H14O6
Exact mass
314.079
Mol weight
314.2895
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C10516  Pisatin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C10516  Pisatin
Other DBs
CAS: 469-01-2
PubChem: 12699
ChEBI: 67347
ChEMBL: CHEMBL1784262
KNApSAcK: C00000651
3DMET: B03919
NIKKAJI: J93.187J
LinkDB
KCF data

ATOM        23
            1   C1z C    30.0192  -15.9648
            2   C1y C    28.8096  -16.6486
            3   C8y C    31.0477  -16.8940
            4   C1x C    30.0252  -14.5800
            5   O1a O    31.2581  -15.0591
            6   C8y C    27.6234  -15.9532
            7   O2x O    29.0902  -18.0160
            8   C8y C    30.4693  -18.1561
            9   C8x C    32.4327  -16.7654
            10  O2x O    28.8272  -13.8788
            11  C8y C    27.6293  -14.5683
            12  C8x C    26.4314  -16.6427
            13  C8x C    31.2756  -19.2956
            14  C8y C    33.2390  -17.9048
            15  C8x C    26.4314  -13.8788
            16  C8x C    25.2276  -15.9532
            17  C8y C    32.6606  -19.1729
            18  O2x O    34.6297  -18.0685
            19  C8y C    25.2276  -14.5683
            20  O2x O    33.6831  -20.1195
            21  C1x C    34.8985  -19.4359
            22  O2a O    24.0356  -13.8729
            23  C1a C    22.8377  -14.5683
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   22  23 1
            23    7   8 1
            24   10  11 1
            25   14  17 1
            26   16  19 1
            27   20  21 1

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