KEGG   COMPOUND: C10588Help
Entry
C10588                      Compound                               

Name
Damascenine
Formula
C10H13NO3
Exact mass
195.0895
Mol weight
195.2151
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 483-64-7
PubChem: 12771
ChEBI: 4311
KNApSAcK: C00002333
3DMET: B03980
NIKKAJI: J5.989G
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8y C    26.8278  -19.1684
            2   C8y C    28.0408  -19.8682
            3   C7a C    26.8219  -17.7746
            4   C8x C    25.6090  -19.8682
            5   C8y C    28.0408  -21.2679
            6   N1b N    29.2480  -19.1684
            7   O6a O    28.0349  -17.0691
            8   O7a O    25.6031  -17.0691
            9   C8x C    25.6090  -21.2679
            10  C8x C    26.8278  -21.9736
            11  O2a O    29.2480  -21.9736
            12  C1a C    30.4493  -19.8625
            13  C1a C    30.4493  -21.2679
            14  C1a C    24.3980  -17.7631
BOND        14
            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 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12   11  13 1
            13    9  10 1
            14    8  14 1

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