KEGG   COMPOUND: C10411
Entry
C10411                      Compound                               

Name
Tussilagine
Formula
C10H17NO3
Exact mass
199.1208
Mol weight
199.2469
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10411  Tussilagine
Other DBs
CAS: 80151-77-5
PubChem: 12597
ChEBI: 9782
KNApSAcK: C00002125
3DMET: B03824
NIKKAJI: J126.255F
KCF data

ATOM        14
            1   C1y C    25.8333  -18.0770
            2   C1y C    27.2587  -17.6858
            3   N1y N    25.8448  -19.4852
            4   C1x C    24.5825  -17.5749
            5   C1z C    28.0411  -18.8604
            6   C1x C    27.1770  -19.9826
            7   C1x C    24.4890  -19.8658
            8   C1x C    23.6997  -18.6969
            9   C1a C    29.0231  -19.8426
            10  O1a O    29.2334  -18.1470
            11  C7a C    27.2491  -16.2788
            12  O7a O    28.4483  -15.5733
            13  C1a C    29.6689  -16.2576
            14  O6a O    26.0272  -15.5895
BOND        15
            1     2   5 1
            2     3   6 1
            3     3   7 1
            4     4   8 1
            5     5   9 1 #Up
            6     5  10 1 #Down
            7     5   6 1
            8     7   8 1
            9     2  11 1 #Down
            10    1   2 1
            11   11  12 1
            12    1   3 1
            13   12  13 1
            14    1   4 1
            15   11  14 2

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