KEGG   COMPOUND: C16757
Entry
C16757                      Compound                               
Name
(Z)-Ajoene
Formula
C9H14OS3
Exact mass
234.0207
Mol weight
234.4019
Structure
Other DBs
CAS: 92285-00-2
PubChem: 96023281
ChEBI: 80707
NIKKAJI: J468.838D
LinkDB
KCF data

ATOM        13
            1   C2a C     7.7700  -15.8200
            2   C2b C     8.9824  -15.1200
            3   C1b C    10.1949  -15.8200
            4   S4a S    11.4073  -15.1200
            5   C1b C    12.6197  -15.8200
            6   C2b C    13.8173  -15.1285
            7   O3c O    11.4073  -13.7200
            8   C2b C    15.3049  -15.1200
            9   S3a S    16.5173  -15.8200
            10  S3a S    17.7297  -15.1200
            11  C1b C    18.9422  -15.8200
            12  C2b C    20.1546  -15.1200
            13  C2a C    21.3670  -15.8200
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     4   7 2
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 2
            12    6   8 2

» Japanese version

DBGET integrated database retrieval system