KEGG   COMPOUND: C10206Help
Entry
C10206                      Compound                               

Name
Cristacarpin
Formula
C21H22O5
Exact mass
354.1467
Mol weight
354.3964
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C10206  Cristacarpin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C10206  Cristacarpin
BRITE hierarchy
Other DBs
CAS: 74515-47-2
PubChem: 12392
ChEBI: 3917
ChEMBL: CHEMBL454849
KNApSAcK: C00002515
3DMET: B03636
NIKKAJI: J607.235F
KCF data Show

ATOM        26
            1   C1y C    24.7046  -15.5640
            2   C1z C    25.9229  -14.8703
            3   C8y C    23.5096  -14.8586
            4   O2x O    24.9902  -16.9338
            5   C8y C    26.9605  -15.8146
            6   C1x C    25.9288  -13.4712
            7   O1a O    27.1179  -13.9143
            8   C8y C    23.5155  -13.4655
            9   C8x C    22.3146  -15.5524
            10  C8y C    26.3776  -17.0854
            11  C8x C    28.3595  -15.6805
            12  O2x O    24.7279  -12.7717
            13  C8x C    22.3146  -12.7660
            14  C8x C    21.1022  -14.8586
            15  C8y C    27.1879  -18.2338
            16  C8x C    29.1698  -16.8288
            17  C8y C    21.1022  -13.4655
            18  C8y C    28.5869  -18.0997
            19  C1b C    26.6050  -19.4988
            20  O1a O    19.8955  -12.7660
            21  O2a O    29.3914  -19.2364
            22  C2b C    25.2759  -19.5571
            23  C1a C    30.7786  -19.2072
            24  C2c C    24.5705  -20.6878
            25  C1a C    23.1715  -20.7462
            26  C1a C    25.2526  -21.9062
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   15  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1
            23   22  24 2
            24   24  25 1
            25   24  26 1
            26    5  10 2
            27    8  12 1
            28   14  17 1
            29   16  18 1

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