KEGG   COMPOUND: C15511Help
Entry
C15511                      Compound                               

Name
Glyceollin III
Formula
C20H18O5
Exact mass
338.1154
Mol weight
338.3539
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C15511  Glyceollin III
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C15511  Glyceollin III
BRITE hierarchy
Other DBs
CAS: 61080-23-7
PubChem: 17396503
ChEBI: 52086
ChEMBL: CHEMBL2229450
KNApSAcK: C00009685
NIKKAJI: J193.294B
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    30.3939  -19.7745
            2   C1z C    31.6059  -19.0956
            3   C8y C    29.1867  -19.0839
            4   O2x O    30.6685  -21.1455
            5   C8y C    32.6368  -20.0387
            6   C1x C    31.6117  -17.6954
            7   O1a O    32.7899  -18.2458
            8   C8y C    29.1925  -17.6766
            9   C8x C    27.9851  -19.7745
            10  C8y C    32.0629  -21.2974
            11  C8x C    34.0253  -19.8972
            12  O2x O    30.4114  -16.9858
            13  C8x C    27.9851  -16.9799
            14  C8y C    26.7731  -19.0839
            15  C8x C    32.8774  -22.4406
            16  C8x C    34.8340  -21.0286
            17  C8y C    26.7731  -17.6766
            18  C8y C    34.2659  -22.2990
            19  O1a O    35.0806  -23.4364
            20  O2x O    25.4347  -17.2417
            21  C1y C    24.6075  -18.3802
            22  C1x C    25.4347  -19.5188
            23  C2c C    23.2297  -18.3806
            24  C2a C    22.5387  -17.1847
            25  C1a C    22.5210  -19.6086
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   18  19 1
            19    5  10 2
            20    8  12 1
            21   14  17 1
            22   16  18 1
            23   17  20 1
            24   20  21 1
            25   21  22 1
            26   14  22 1
            27   21  23 1 #Up
            28   23  24 2
            29   23  25 1

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