Mrv0541 01061412582D          

 23 24  0  0  0  0            999 V2000
    3.5375   -6.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -5.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -6.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -6.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -4.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708   -6.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2458   -4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2583   -6.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3958   -4.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708   -7.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708   -6.1167    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  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  2  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  5  6  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <ID>
CHEBI:69702

> <NAME>
griffithane C

> <DEFINITION>
A member of the class of catechols that is benzene-1,2-diol substituted by a methoxy group at position 5 and a 3-(3,4-dimethoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii.

> <STAR>
3

> <SYNONYM>
1-(4,5-dihydroxy-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)propane

> <IUPAC_NAME>
4-[3-(3,4-dimethoxyphenyl)propyl]-5-methoxybenzene-1,2-diol

> <FORMULA>
C18H22O5

> <MASS>
318.36430

> <MONOISOTOPIC_MASS>
318.14672

> <CHARGE>
0

> <SMILES>
COc1ccc(CCCc2cc(O)c(O)cc2OC)cc1OC

> <INCHI>
InChI=1S/C18H22O5/c1-21-16-8-7-12(9-18(16)23-3)5-4-6-13-10-14(19)15(20)11-17(13)22-2/h7-11,19-20H,4-6H2,1-3H3

> <INCHIKEY>
KKEWRDFFOCYCGG-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
21975541

> <PUBMED_CITATION>
21919533

$$$$