KEGG   COMPOUND: C10299
Entry
C10299                      Compound                               

Name
Echimidine;
7-Angelyl-9-echimidinylretronecine
Formula
C20H31NO7
Exact mass
397.2101
Mol weight
397.4626
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10299  Echimidine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Pyrrolizidine alkaloids
    C10299  Echimidine
Other DBs
CAS: 520-68-3
PubChem: 12485
ChEBI: 4744
ChEMBL: CHEMBL2269162
KNApSAcK: C00002085
3DMET: B03720
NIKKAJI: J867.787E
KCF data

ATOM        28
            1   C1c C    31.6731  -17.5388
            2   C1a C    32.8820  -16.8409
            3   C1y C    25.5239  -19.4290
            4   N1y N    25.5648  -20.8293
            5   C2y C    26.8366  -18.9565
            6   C1y C    24.1646  -19.0556
            7   C1x C    24.2580  -21.3194
            8   C1x C    26.9124  -21.2144
            9   C2x C    27.6942  -20.0593
            10  C1b C    26.8309  -17.5563
            11  C1x C    23.3827  -20.2285
            12  O7a O    24.1529  -17.6439
            13  O7a O    28.0386  -16.8504
            14  C7a C    29.2520  -17.5505
            15  C1d C    30.4654  -16.8446
            16  O6a O    29.2461  -18.9507
            17  C1d C    30.4538  -15.4385
            18  C1a C    29.2346  -14.7443
            19  C7a C    22.9383  -16.9560
            20  O6a O    21.7353  -17.6639
            21  C2c C    22.9268  -15.5601
            22  C1a C    24.1299  -14.8522
            23  C2b C    21.7123  -14.8722
            24  C1a C    20.5092  -15.5801
            25  O1a O    31.6801  -16.0428
            26  C1a C    31.6576  -14.7319
            27  O1a O    30.4326  -14.0780
            28  O1a O    31.6743  -18.9347
BOND        29
            1     6  12 1 #Up
            2    10  13 1
            3    13  14 1
            4    14  15 1
            5    14  16 2
            6    15   1 1
            7    15  17 1
            8    17  18 1
            9     7  11 1
            10    8   9 1
            11   12  19 1
            12    1   2 1
            13   19  20 2
            14    3   4 1
            15   19  21 1
            16    3   5 1
            17   21  22 1
            18    3   6 1
            19   21  23 2
            20    4   7 1
            21   23  24 1
            22    4   8 1
            23    5   9 2
            24   15  25 1 #Up
            25   17  26 1
            26    5  10 1
            27   17  27 1
            28    6  11 1
            29    1  28 1 #Down

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