KEGG   COMPOUND: C09528
Entry
C09528                      Compound                               

Name
Picrotin
Formula
C15H18O7
Exact mass
310.1053
Mol weight
310.2992
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09528  Picrotin
Other DBs
CAS: 21416-53-5
PubChem: 11719
ChEBI: 8205
ChEMBL: CHEMBL2373280 CHEMBL478523
KNApSAcK: C00003349
3DMET: B03050
NIKKAJI: J55.717J
KCF data

ATOM        22
            1   C1z C    25.4300  -12.9664
            2   C1z C    25.4204  -14.2453
            3   C1y C    27.0661  -12.7747
            4   O2x O    26.0974  -11.7885
            5   C7x C    23.9522  -12.6841
            6   C1z C    26.5991  -14.9280
            7   C1y C    24.2299  -14.9338
            8   C1a C    28.6234  -12.8508
            9   C1x C    27.6205  -14.0177
            10  O7x O    23.2087  -14.0177
            11  O6a O    23.0860  -11.5784
            12  C1y C    26.5991  -16.2993
            13  O1a O    27.7838  -15.6107
            14  C1y C    24.2299  -16.2993
            15  C1y C    25.4204  -16.9822
            16  C7x C    26.6992  -17.4739
            17  O7x O    24.2299  -17.4768
            18  C1d C    25.4204  -18.3594
            19  O6a O    27.7569  -18.1104
            20  C1a C    26.5991  -19.0363
            21  C1a C    24.2299  -19.0304
            22  O1a O    25.4145  -19.7190
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1 #Down
            13    7  14 1
            14   12  15 1
            15   12  16 1 #Up
            16   14  17 1 #Up
            17   15  18 1 #Down
            18   16  19 2
            19   18  20 1
            20   18  21 1
            21   18  22 1
            22    3   4 1
            23    6   9 1
            24    7  10 1
            25   14  15 1
            26   16  17 1

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