KEGG   COMPOUND: C08399
Entry
C08399                      Compound                               
Name
Carlina oxide
Formula
C13H10O
Exact mass
182.0732
Mol weight
182.2179
Structure
Other DBs
CAS: 502-22-7
PubChem: 10595
ChEBI: 3420
KNApSAcK: C00001276
NIKKAJI: J2.370.689J
LinkDB
KCF data

ATOM        14
            1   C8y C    30.5341  -19.7062
            2   C3b C    29.3229  -19.0098
            3   C8x C    30.6863  -21.1046
            4   O2x O    31.8215  -19.1445
            5   C3b C    28.1119  -18.3077
            6   C8x C    32.0555  -21.3971
            7   C8x C    32.7576  -20.1801
            8   C1b C    26.9007  -17.6057
            9   C8y C    25.6895  -18.3077
            10  C8x C    25.6895  -19.7062
            11  C8x C    24.4783  -17.6057
            12  C8x C    24.4783  -20.4024
            13  C8x C    23.2671  -18.3077
            14  C8x C    23.2671  -19.7062
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 3
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11   10  12 2
            12   11  13 1
            13   12  14 1
            14    6   7 2
            15   13  14 2

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