KEGG   COMPOUND: C17361
Entry
C17361                      Compound                               
Name
2-Hydroxyethylclavam;
Hydroxyethylclavam
Formula
C7H11NO3
Exact mass
157.0739
Mol weight
157.1671
Structure
Other DBs
CAS: 79416-52-7
PubChem: 96023714
ChEBI: 81030
NIKKAJI: J152.382A
LinkDB
KCF data

ATOM        11
            1   C1x C    23.5794  -17.7707
            2   C5x C    23.5794  -19.1698
            3   N1y N    24.9785  -19.1698
            4   C1y C    24.9785  -17.7707
            5   C1x C    26.3090  -19.6019
            6   C1y C    27.1312  -18.4702
            7   O2x O    26.3090  -17.3385
            8   O5x O    22.5903  -20.1589
            9   C1b C    28.3584  -17.7707
            10  C1b C    29.5700  -18.4702
            11  O1a O    30.7997  -17.7598
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     2   8 2
            10    6   9 1 #Up
            11    9  10 1
            12   10  11 1

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