Mrv0541 11051314262D          

 23 25  0  0  0  0            999 V2000
   15.8875   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3708    0.0250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8875    0.6958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1958    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6042    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4250    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8417    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6042   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8333    1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9583    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9583   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6667    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1417    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9583    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0792   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  4  7  1  1  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
  5 20  1  6  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
  3  5  1  0  0  0  0
 10  9  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <ID>
CHEBI:67383

> <NAME>
pterolinus C

> <DEFINITION>
A member of the class of  1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by methoxy groups at positions 5 and 6, a methyl group at position 3 and a 3-hydroxy-4-methoxyphenyl group at position 2. It is isolated from Pterocarpus santalinus.

> <STAR>
3

> <IUPAC_NAME>
5-[(2S,3S)-5,6-dimethoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol

> <FORMULA>
C18H20O5

> <MASS>
316.34840

> <MONOISOTOPIC_MASS>
316.13107

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1O)[C@H]1Oc2cc(OC)c(OC)cc2[C@@H]1C

> <INCHI>
InChI=1S/C18H20O5/c1-10-12-8-16(21-3)17(22-4)9-15(12)23-18(10)11-5-6-14(20-2)13(19)7-11/h5-10,18-19H,1-4H3/t10-,18-/m0/s1

> <INCHIKEY>
XZHWXGQZQLTSGY-YPMLDQLKSA-N

> <REAXYS_REGISTRY_NUMBER>
21548609

> <PUBMED_CITATION>
21488654

$$$$