KEGG   COMPOUND: C03514Help
Entry
C03514                      Compound                               

Name
Limonin;
Evodin
Formula
C26H30O8
Exact mass
470.1941
Mol weight
470.5116
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
2.4.1.210       3.1.1.36
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Limonoids
    C03514  Limonin
BRITE hierarchy
Other DBs
CAS: 1180-71-8
PubChem: 6323
ChEBI: 16226
ChEMBL: CHEMBL1886762 CHEMBL1897224 CHEMBL3183848 CHEMBL517449
KNApSAcK: C00003719
3DMET: B01664
NIKKAJI: J9.856F
KCF data Show

ATOM        34
            1   C1z C    19.3470  -17.9501
            2   C1z C    18.1356  -18.6604
            3   C1y C    20.5710  -18.6540
            4   C1z C    19.3470  -16.5485
            5   O2x O    19.3406  -19.3262
            6   C1y C    16.9243  -17.9691
            7   C5x C    18.1356  -20.0556
            8   C1a C    17.5693  -17.2842
            9   C7x C    21.7886  -17.9564
            10  C1y C    20.5583  -15.8382
            11  C1x C    18.1166  -15.8636
            12  C1a C    19.3406  -15.1659
            13  C1z C    15.7319  -18.6604
            14  C1x C    16.9053  -16.5739
            15  C1x C    16.9243  -20.7595
            16  O5x O    19.3279  -20.7406
            17  O7x O    21.7823  -16.5420
            18  O6a O    22.9874  -18.6477
            19  C8y C    20.5519  -14.4557
            20  C1y C    15.7319  -20.0556
            21  C1y C    14.4066  -18.2418
            22  C1x C    16.7530  -17.7028
            23  C8x C    19.4294  -13.6501
            24  C8x C    21.6681  -13.6374
            25  C1z C    14.4001  -20.4869
            26  O2x O    13.5948  -19.3516
            27  C1x C    14.0958  -16.8782
            28  O7x O    16.4424  -16.3392
            29  C8x C    19.8607  -12.3373
            30  O2x O    21.2243  -12.3310
            31  C1a C    13.1443  -21.3113
            32  C1a C    14.4056  -22.1995
            33  C7x C    15.1042  -15.9397
            34  O6a O    14.7934  -14.5951
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17    9  18 2
            18   10  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   21  26 1
            26   21  27 1
            27   22  28 1
            28   23  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 1
            32   27  33 1
            33   33  34 2
            34    3   5 1 #Up
            35   10  17 1
            36   11  14 1
            37   15  20 1
            38   25  26 1
            39   28  33 1
            40   29  30 1

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