KEGG   COMPOUND: C16707Help
Entry
C16707                      Compound                               

Name
(S)-Autumnaline;
Autumnaline
Formula
C21H27NO5
Exact mass
373.1889
Mol weight
373.4428
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.21.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C16707  (S)-Autumnaline
BRITE hierarchy
Other DBs
CAS: 23068-65-7
PubChem: 96023231
ChEBI: 80672
NIKKAJI: J16.287F
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    19.1100  -11.4100
            2   C8y C    19.1100  -12.8100
            3   C8x C    20.3224  -13.5100
            4   C8y C    21.5349  -12.8100
            5   C8y C    21.5349  -11.4100
            6   C8x C    20.3224  -10.7100
            7   C1y C    22.7473  -13.5100
            8   N1y N    23.9597  -12.8100
            9   C1x C    23.9597  -11.4100
            10  C1x C    22.7473  -10.7100
            11  C1b C    23.7373  -14.4999
            12  C1b C    23.3749  -15.8522
            13  C8y C    22.1625  -16.5522
            14  C8x C    20.9500  -15.8522
            15  C8y C    19.7376  -16.5522
            16  C8y C    19.7376  -17.9522
            17  C8y C    20.9500  -18.6522
            18  C8x C    22.1625  -17.9522
            19  O2a O    17.8976  -10.7100
            20  C1a C    16.7021  -11.4004
            21  O1a O    17.8976  -13.5100
            22  C1a C    25.1573  -13.5015
            23  O2a O    18.5131  -15.8456
            24  C1a C    17.2878  -16.5539
            25  O2a O    18.5410  -18.6427
            26  C1a C    18.5410  -20.0427
            27  O1a O    20.9496  -20.0199
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21    1  19 1
            22   19  20 1
            23    2  21 1
            24    8  22 1
            25   15  23 1
            26   23  24 1
            27   16  25 1
            28   25  26 1
            29   17  27 1

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