KEGG   COMPOUND: C16994
Entry
C16994                      Compound                               
Name
Anthopleurine
Formula
C7H15NO4
Exact mass
177.1001
Mol weight
177.1983
Structure
Other DBs
CAS: 56595-17-6
PubChem: 96023480
ChEBI: 80848
NIKKAJI: J11.151A
LinkDB
KCF data

ATOM        12
            1   C1a C    12.0400  -17.0800
            2   N1d N    13.2524  -17.0800 #+
            3   C1b C    14.4649  -16.3800
            4   C1c C    15.6773  -17.0800
            5   C1c C    16.8897  -16.3800
            6   C6a C    18.1022  -17.0800
            7   O6a O    19.3146  -16.3800 #-
            8   C1a C    12.6224  -18.6198
            9   C1a C    12.4701  -15.7277
            10  O1a O    15.6773  -18.4800
            11  O1a O    16.8897  -14.9801
            12  O6a O    18.1022  -18.4797
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 1
            8     2   9 1
            9     4  10 1 #Up
            10    5  11 1 #Up
            11    6  12 2

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