KEGG   COMPOUND: C10516Help
Entry
C10516                      Compound                               

Name
Pisatin;
(+)-Pisatin
Formula
C17H14O6
Exact mass
314.079
Mol weight
314.2895
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 469-01-2
PubChem: 12699
ChEBI: 67347
ChEMBL: CHEMBL1784262
KNApSAcK: C00000651
3DMET: B03919
NIKKAJI: J93.187J
KCF data Show

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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