KEGG   COMPOUND: C01701Help
Entry
C01701                      Compound                               

Name
(-)-Glyceollin I;
Glyceollin
Formula
C20H18O5
Exact mass
338.1154
Mol weight
338.3539
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C01701  (-)-Glyceollin I
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C01701  (-)-Glyceollin I
BRITE hierarchy
Other DBs
CAS: 57103-57-8
PubChem: 4841
ChEBI: 16470
ChEMBL: CHEMBL1774987
KNApSAcK: C00002530
3DMET: B01482
NIKKAJI: J193.292F
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1z C    45.1500  -12.8100
            2   C1y C    43.9600  -13.5100
            3   C8y C    46.2000  -13.7200
            4   C1x C    45.1500  -11.4100
            5   O1a O    46.2700  -11.9700
            6   C8y C    42.7700  -12.8100
            7   O2x O    44.2400  -14.8400
            8   C8y C    45.6400  -14.9800
            9   C8x C    47.5300  -13.5800
            10  O2x O    43.9600  -10.7100
            11  C8y C    42.7700  -11.4100
            12  C8x C    41.5800  -13.5100
            13  C8x C    46.4100  -16.1000
            14  C8x C    48.3700  -14.7000
            15  C8y C    41.5800  -10.7100
            16  C8x C    40.3900  -12.8100
            17  C8y C    47.8100  -15.9600
            18  C8y C    40.3900  -11.4100
            19  O1a O    48.5800  -17.1500
            20  C2x C    41.5800   -9.3100
            21  C2x C    40.3200   -8.6100
            22  C1z C    39.1300   -9.3100
            23  O2x O    39.1300  -10.7100
            24  C1a C    38.7800   -7.9800
            25  C1a C    37.8000   -9.6600
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            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   15  18 2
            18   17  19 1
            19    7   8 1
            20   10  11 1
            21   14  17 1
            22   16  18 1
            23   15  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 1
            27   18  23 1
            28   22  24 1
            29   22  25 1

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