KEGG   COMPOUND: C08469Help
Entry
C08469                      Compound                               

Name
Aristolochic acid;
Aristolochic acid I
Formula
C17H11NO7
Exact mass
341.0536
Mol weight
341.2717
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Aristolochiaceae [TAX:06727]
IARC Group 1
Cancer site: renal pelvis, ureter
aporphine alkaloid
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C08469  Aristolochic acid
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C08469  Aristolochic acid
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Isoquinoline alkaloids
    C08469  Aristolochic acid
BRITE hierarchy
Other DBs
CAS: 
313-67-7
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    28.0879  -16.9343
            2   C8y C    29.2948  -16.2403
            3   C8y C    28.0879  -18.3277
            4   C8y C    26.8636  -16.2403
            5   C8y C    30.5077  -16.9459
            6   C8y C    29.2948  -14.8353
            7   C8y C    29.2832  -19.0332
            8   C8x C    26.8753  -19.0099
            9   C8y C    26.8636  -14.8410
            10  O2x O    25.5343  -16.6718
            11  C8x C    30.4960  -18.3452
            12  N2b N    31.7203  -16.2229 #+
            13  C8x C    28.0879  -14.1297
            14  C6a C    30.5134  -14.1182
            15  C8y C    29.2657  -20.4266
            16  C8x C    26.8636  -20.3976
            17  O2x O    25.5343  -14.4097
            18  C1x C    24.7179  -15.5407
            19  O3a O    33.1489  -15.5116
            20  O3a O    33.0789  -17.0683 #-
            21  O6a O    31.7262  -14.8177
            22  O6a O    30.5017  -12.7072
            23  C8x C    28.0588  -21.1087
            24  O2a O    30.4901  -21.1146
            25  C1a C    31.7029  -20.3976
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 2
            19   12  20 1
            20   14  21 1
            21   14  22 2
            22   15  23 2
            23   15  24 1
            24   24  25 1
            25    7  11 1
            26    9  13 1
            27   16  23 1
            28   17  18 1

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