KEGG   COMPOUND: C10733
Entry
C10733                      Compound                               
Name
Peganine;
Vasicine
Formula
C11H12N2O
Exact mass
188.095
Mol weight
188.2258
Structure
Reaction
Pathway
map00996  Biosynthesis of various alkaloids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinazoline alkaloids
    C10733  Peganine
Other DBs
CAS: 6159-55-3
PubChem: 12916
ChEBI: 7949
KNApSAcK: C00002191 C00026252
3DMET: B04101
NIKKAJI: J8.351H
LinkDB
KCF data

ATOM        14
            1   N2x N    28.9663  -17.9097
            2   C1x C    28.9663  -15.1075
            3   C8y C    27.7563  -15.8045
            4   C8y C    27.7623  -17.2056
            5   C8x C    26.5509  -17.9148
            6   C8x C    25.3336  -17.2159
            7   C8x C    25.3277  -15.8148
            8   C8x C    26.5391  -15.1128
            9   C2y C    30.1836  -17.2056
            10  N1y N    30.1868  -15.8042
            11  C1x C    31.5212  -15.3762
            12  C1x C    32.3380  -16.5134
            13  C1y C    31.5158  -17.6397
            14  O1a O    32.2042  -18.8460
BOND        16
            1     4   5 1
            2     5   6 2
            3     6   7 1
            4     7   8 2
            5     8   3 1
            6     9   1 2
            7     1   4 1
            8     3   2 1
            9     2  10 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13   9 1
            15    3   4 2
            16   13  14 1 #Up

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