KEGG   COMPOUND: C05193
Entry
C05193                      Compound                               

Name
12-Hydroxydihydrochelirubine;
12-Hydroxychelirubine
Formula
C21H17NO6
Exact mass
379.1056
Mol weight
379.3628
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05193  12-Hydroxydihydrochelirubine
Other DBs
CAS: 131984-77-5
PubChem: 7598
ChEBI: 15716
KNApSAcK: C00027673
3DMET: B01825
NIKKAJI: J612.408I
KCF data

ATOM        28
            1   C8y C    25.3147  -20.1713
            2   C8y C    24.1051  -20.8676
            3   C8y C    26.5315  -20.8938
            4   C8x C    25.3384  -18.7787
            5   C8y C    24.0790  -22.2627
            6   C8y C    22.8907  -20.1476
            7   C8y C    27.7411  -20.2093
            8   N1y N    26.5195  -22.2983
            9   C8y C    26.5576  -18.0942
            10  C1x C    25.2957  -22.9851
            11  C8x C    21.5991  -20.8558
            12  O2a O    22.9001  -18.7526
            13  C8y C    27.6949  -18.8072
            14  C8x C    28.9343  -20.9199
            15  C1a C    27.7364  -22.9971
            16  C1a C    21.6832  -18.0513
            17  C8x C    28.9722  -18.1322
            18  C8y C    30.1510  -20.2259
            19  C8y C    30.1747  -18.8309
            20  O2x O    31.4653  -20.6824
            21  O2x O    31.5033  -18.4317
            22  C1x C    32.3066  -19.5677
            23  C8y C    22.8651  -22.9768
            24  C8y C    21.6571  -22.2603
            25  O2x O    20.6023  -23.1878
            26  C1x C    21.1587  -24.4774
            27  O2x O    22.5572  -24.3471
            28  O1a O    26.5729  -16.6958
BOND        33
            1     3   7 1
            2     3   8 1
            3     4   9 2
            4     5  23 1
            5     5  10 1
            6     6  11 2
            7     6  12 1
            8     7  13 2
            9     7  14 1
            10    8  15 1
            11   12  16 1
            12   13  17 1
            13   14  18 2
            14   17  19 2
            15   18  20 1
            16   19  21 1
            17   20  22 1
            18    8  10 1
            19    9  13 1
            20   11  24 1
            21   18  19 1
            22   21  22 1
            23    1   2 1
            24    1   3 2
            25    1   4 1
            26    2   5 2
            27   23  24 2
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  23 1
            32    2   6 1
            33    9  28 1

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