KEGG   COMPOUND: C10180Help
Entry
C10180                      Compound                               

Name
Santin
Formula
C18H16O7
Exact mass
344.0896
Mol weight
344.3154
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10180  Santin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10180  Santin
BRITE hierarchy
Other DBs
CAS: 27782-63-4
PubChem: 12366
ChEBI: 9024
ChEMBL: CHEMBL161957
KNApSAcK: C00001096
3DMET: B03613
NIKKAJI: J374.261J
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    23.0562  -18.5422
            2   C8y C    23.0620  -17.1389
            3   C8y C    24.2674  -19.2410
            4   C8y C    21.8508  -19.2353
            5   O2x O    24.2790  -16.4401
            6   C8x C    21.8508  -16.4342
            7   C8y C    25.4787  -18.5539
            8   O5x O    24.2616  -20.6445
            9   C8y C    20.6396  -18.5422
            10  O1a O    21.8565  -20.6386
            11  C8y C    25.4845  -17.1505
            12  C8y C    20.6396  -17.1389
            13  O2a O    26.6899  -19.2527
            14  O2a O    19.4226  -19.2353
            15  C8y C    26.7015  -16.4517
            16  O1a O    19.4226  -16.4342
            17  C1a C    27.9012  -18.5598
            18  C1a C    18.2112  -18.5422
            19  C8x C    27.9070  -17.1622
            20  C8x C    26.7015  -15.0541
            21  C8x C    29.1240  -16.4634
            22  C8x C    27.9186  -14.3612
            23  C8y C    29.1298  -15.0658
            24  O2a O    30.3468  -14.3729
            25  C1a C    31.5582  -15.0774
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   19  21 1
            21   20  22 2
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25    7  11 2
            26    9  12 1
            27   22  23 1

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