KEGG   COMPOUND: C10449Help
Entry
C10449                      Compound                               

Name
Dillapiole;
Dillapiol
Formula
C12H14O4
Exact mass
222.0892
Mol weight
222.2372
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 484-31-1
PubChem: 12632
ChEBI: 70453
ChEMBL: CHEMBL470874
KNApSAcK: C00002737
3DMET: B03855
NIKKAJI: J12.531H
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    26.0471  -19.1503
            2   C8y C    27.2652  -19.8497
            3   C8y C    26.0471  -17.7574
            4   O2x O    24.7183  -19.5817
            5   C8y C    28.4717  -19.1503
            6   O2a O    27.2652  -21.2485
            7   C8x C    27.2652  -17.0465
            8   O2x O    24.7183  -17.3205
            9   C1x C    23.9024  -18.4509
            10  C8y C    28.4776  -17.7515
            11  O2a O    29.6782  -19.8557
            12  C1a C    26.0530  -21.9596
            13  C1b C    29.6898  -17.0524
            14  C1a C    30.8963  -19.1620
            15  C2b C    30.9022  -17.7632
            16  C2a C    32.1087  -17.0465
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     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   15  16 2
            16    7  10 1
            17    8   9 1

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