KEGG   COMPOUND: C16975
Entry
C16975                      Compound                               
Name
Isoelemicin
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.25
Structure
Other DBs
CAS: 5273-85-8
PubChem: 96023461
ChEBI: 80837
KNApSAcK: C00031898
NIKKAJI: J8.828E
LinkDB
KCF data

ATOM        15
            1   C8y C    11.4800  -29.8200
            2   C8y C    11.4800  -31.2200
            3   C8y C    12.6924  -31.9200
            4   C8x C    13.9049  -31.2200
            5   C8y C    13.9049  -29.8200
            6   C8x C    12.6924  -29.1200
            7   O2a O    12.6924  -33.3198
            8   O2a O    10.2676  -31.9200
            9   O2a O    10.2676  -29.1200
            10  C1a C     9.0721  -29.8104
            11  C1a C     9.0721  -31.2296
            12  C1a C    11.4632  -34.0297
            13  C2b C    15.1360  -29.1090
            14  C2b C    16.3412  -29.8047
            15  C1a C    17.5235  -29.1219
BOND        15
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     3   7 1
            8     2   8 1
            9     1   9 1
            10    9  10 1
            11    8  11 1
            12    7  12 1
            13    5  13 1
            14   13  14 2
            15   14  15 1

» Japanese version

DBGET integrated database retrieval system