KEGG   COMPOUND: C09018Help
Entry
C09018                      Compound                               

Name
Precocene II;
Precocene 2
Formula
C13H16O3
Exact mass
220.1099
Mol weight
220.2643
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 644-06-4
PubChem: 11210
ChEBI: 35606
ChEMBL: CHEMBL448964
KNApSAcK: C00002440
3DMET: B02617
NIKKAJI: J5.187J
KCF data Show

ATOM        16
            1   C8y C    28.6255  -20.2256
            2   C8y C    28.6138  -18.8288
            3   C8x C    27.4213  -20.9447
            4   C2x C    29.8411  -20.9213
            5   C8x C    27.3862  -18.1391
            6   O2x O    29.8237  -18.1214
            7   C8y C    26.1939  -20.2550
            8   C2x C    31.0394  -20.2139
            9   C8y C    26.1763  -18.8522
            10  C1z C    31.0336  -18.8111
            11  O2a O    24.9840  -20.9798
            12  O2a O    24.9547  -18.1625
            13  C1a C    32.2435  -18.1040
            14  C1a C    32.1382  -19.6237
            15  C1a C    23.7624  -20.2958
            16  C1a C    23.7507  -18.8813
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16    7   9 1
            17    8  10 1

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