KEGG   COMPOUND: C09003Help
Entry
C09003                      Compound                               

Name
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
Formula
C17H20O3
Exact mass
272.1412
Mol weight
272.3389
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 151731-50-9
PubChem: 11195
ChEBI: 860
KNApSAcK: C00002424
3DMET: B02602
NIKKAJI: J909.753H
KCF data Show

ATOM        20
            1   C8x C    23.0813  -18.2356
            2   C8y C    23.0813  -19.6378
            3   C8x C    24.2994  -20.3425
            4   C8y C    24.2994  -17.5380
            5   C8y C    25.5035  -18.2356
            6   C8y C    25.4976  -19.6378
            7   C2x C    26.7100  -20.3475
            8   C2x C    27.9283  -19.6481
            9   C1z C    27.9342  -18.2460
            10  O2x O    26.7218  -17.5431
            11  C6a C    21.8662  -20.3431
            12  O6a O    21.8671  -21.7453
            13  O6a O    20.6506  -19.6391
            14  C1b C    24.3013  -16.1357
            15  C2b C    25.5105  -15.4326
            16  C2c C    25.5122  -14.0304
            17  C1a C    26.7284  -13.3344
            18  C1a C    24.3047  -13.3313
            19  C1a C    29.1525  -17.5534
            20  C1a C    29.1138  -18.9534
BOND        21
            1     9  10 1
            2    10   5 1
            3     2  11 1
            4     1   2 1
            5    11  12 2
            6     2   3 2
            7    11  13 1
            8     3   6 1
            9     4  14 1
            10    5   4 1
            11   14  15 1
            12    4   1 2
            13   15  16 2
            14    5   6 2
            15   16  17 1
            16    6   7 1
            17   16  18 1
            18    7   8 2
            19    9  19 1
            20    8   9 1
            21    9  20 1

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