ChEBI
  Marvin  02140615072D          

 23 23  0  0  0  0            999 V2000
    7.7213  -15.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068  -15.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7213  -14.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068  -14.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2923  -14.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2923  -15.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5778  -14.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068  -16.4767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4357  -14.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1503  -14.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8647  -14.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -14.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2937  -14.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0081  -14.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7227  -14.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4371  -14.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1516  -14.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1516  -13.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8661  -12.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8661  -11.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5806  -11.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5806  -10.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2950  -10.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <ID>
CHEBI:3104

> <NAME>
5-[(8Z)-pentadec-8-enyl]resorcinol

> <STAR>
3

> <SYNONYM>
Bilobol; 5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol

> <IUPAC_NAME>
5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol

> <FORMULA>
C21H34O2

> <MASS>
318.49346

> <MONOISOTOPIC_MASS>
318.25588

> <CHARGE>
0

> <SMILES>
CCCCCC\C=C/CCCCCCCc1cc(O)cc(O)c1

> <INCHI>
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-

> <INCHIKEY>
TUGAUFMQYWZJAB-FPLPWBNLSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1987389

> <CAS_REGISTRY_NUMBER>
22910-86-7

> <KEGG_COMPOUND_ACCESSION>
C10770

> <KNAPSACK_ACCESSION>
C00002640

$$$$