KEGG   COMPOUND: C01852Help
Entry
C01852                      Compound                               

Name
Secologanin;
(-)-Secologanin
Formula
C17H24O10
Exact mass
388.1369
Mol weight
388.3665
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map00902  Monoterpenoid biosynthesis
map00950  Isoquinoline alkaloid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01062  Biosynthesis of terpenoids and steroids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.3.9         2.1.1.50        4.3.3.2         4.3.3.3         
4.3.3.4
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C01852  Secologanin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Secoiridoids
    C01852  Secologanin
BRITE hierarchy
Other DBs
CAS: 19351-63-4
PubChem: 4969
ChEBI: 18002
ChEMBL: CHEMBL1235867
LIPIDMAPS: LMPR0102070002
KNApSAcK: C00003098
PDB-CCD: SCG[PDBj]
3DMET: B01508
NIKKAJI: J15.538A
KCF data Show

ATOM        27
            1   C1y C    26.2799  -18.0231
            2   C1y C    26.2799  -16.6490
            3   C1y C    27.4609  -18.7187
            4   C2b C    25.0988  -18.7013
            5   C2y C    27.4609  -15.9651
            6   C1b C    25.0988  -15.9651
            7   O2a O    28.4431  -20.2973
            8   O2x O    28.6537  -18.0231
            9   C2a C    23.9237  -18.0114
            10  C2x C    28.6537  -16.6490
            11  C7a C    27.4551  -14.6087
            12  C4a C    23.9237  -16.6490
            13  C1y C    26.7008  -21.1393
            14  O7a O    28.6360  -13.9245
            15  O6a O    26.2682  -13.9304
            16  O4a O    22.7485  -15.9651
            17  O2x O    25.5198  -20.4551
            18  C1y C    26.7008  -22.4957
            19  C1a C    29.8112  -14.6087
            20  C1y C    24.3387  -21.1393
            21  C1y C    25.5198  -23.1856
            22  O1a O    27.8876  -23.1856
            23  C1y C    24.3387  -22.4957
            24  C1b C    23.1695  -20.4551
            25  O1a O    25.5198  -24.5420
            26  O1a O    23.1695  -23.1856
            27  O1a O    22.1229  -21.3322
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1 #Up
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12   13   7 1 #Up
            13   11  14 1
            14   11  15 2
            15   12  16 2
            16   13  17 1
            17   13  18 1
            18   14  19 1
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Down
            22   20  23 1
            23   20  24 1 #Up
            24   21  25 1 #Up
            25   23  26 1 #Down
            26   24  27 1
            27    8  10 1
            28   21  23 1

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