Mrv0541 04131512072D          

 20 22  0  0  0  0            999 V2000
    0.4331  -17.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495  -17.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1466  -16.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313  -15.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2818  -17.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2805  -16.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0685  -16.0952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5568  -16.7651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0705  -17.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596  -15.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756  -16.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2885  -15.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3818  -16.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7893  -16.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135  -16.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279  -16.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6120  -17.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891  -17.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8529  -16.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222  -15.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0  0  0  0
  3 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  2  0  0  0  0
  1  2  2  0  0  0  0
 11 12  1  0  0  0  0
  5  1  1  0  0  0  0
  8 13  1  6  0  0  0
  2  3  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 19  1  0  0  0  0
  9  5  1  0  0  0  0
  7 20  1  1  0  0  0
M  END
> <ID>
CHEBI:69251

> <NAME>
(+)-conocarpan

> <DEFINITION>
A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a methyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.

> <STAR>
3

> <IUPAC_NAME>
4-{(2S,3S)-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol

> <FORMULA>
C18H18O2

> <MASS>
266.33430

> <MONOISOTOPIC_MASS>
266.13068

> <CHARGE>
0

> <SMILES>
C\C=C\c1ccc2O[C@@H]([C@@H](C)c2c1)c1ccc(O)cc1

> <INCHI>
InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m0/s1

> <INCHIKEY>
GXJSAHXNLJFDPO-OFXNJDNMSA-N

> <REAXYS_REGISTRY_NUMBER>
8268058

> <PUBMED_CITATION>
21800856

$$$$