KEGG   COMPOUND: C09782Help
Entry
C09782                      Compound                               

Name
Gentiopicrin;
Gentiopicroside
Formula
C16H20O9
Exact mass
356.1107
Mol weight
356.3246
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C09782  Gentiopicrin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Secoiridoids
    C09782  Gentiopicrin
Major components of natural products [BR:br08323]
 Crude drugs
  Gentian
   C09782  Gentiopicrin
  Japanese gentian
   C09782  Gentiopicrin
BRITE hierarchy
Other DBs
CAS: 20831-76-9
PubChem: 11970
ChEBI: 5321
ChEMBL: CHEMBL508320
LIPIDMAPS: LMPR0102070009
KNApSAcK: C00003082
3DMET: B03279
NIKKAJI: J40.726G
KCF data Show

ATOM        25
            1   O2a O    29.0297  -21.5700
            2   C1y C    27.5425  -22.5310
            3   O2x O    26.3308  -21.8689
            4   C1y C    27.5052  -23.9103
            5   C1y C    25.1562  -22.5711
            6   C1y C    26.3832  -24.6270
            7   O1a O    28.7850  -24.5822
            8   C1y C    25.1111  -23.9527
            9   C1b C    23.9516  -21.9019
            10  O1a O    26.4131  -26.0113
            11  O1a O    23.9942  -24.6722
            12  O1a O    22.7708  -22.6161
            13  C2y C    27.8534  -17.9719
            14  C1y C    27.8477  -19.3508
            15  C2y C    29.0528  -17.2848
            16  C2x C    26.6613  -17.2848
            17  C1y C    29.0469  -20.0368
            18  C2b C    26.6554  -20.0309
            19  C2x C    30.2450  -17.9836
            20  C7x C    29.0528  -15.9001
            21  C1x C    26.6613  -15.9001
            22  O2x O    30.2392  -19.3625
            23  C2a C    25.4562  -19.3449
            24  O7x O    27.8594  -15.2201
            25  O6a O    30.2509  -15.2201
BOND        27
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11    6   8 1
            12    9  12 1
            13   13  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   14  18 1 #Down
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   18  23 2
            23   20  24 1
            24   20  25 2
            25   19  22 1
            26   21  24 1
            27   17   1 1 #Up

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