131018
  CDK     1202211636

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.6401    0.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715   -0.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6930    0.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -2.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -2.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4215    0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939   -2.6954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1215   -0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9465   -0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594   -0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9465    0.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9465   -1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4305   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4305   -0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1840    0.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6930   -1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455   -1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    1.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0090    0.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326   -1.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5739    2.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    2.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2358   -2.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166   -1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229   -2.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 20  1  0  0  0  0 
  3 18  1  0  0  0  0 
  3 25  1  0  0  0  0 
  4 16  1  0  0  0  0 
  5 21  2  0  0  0  0 
  6 24  1  0  0  0  0 
  7 34  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
  9 14  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 16  2  0  0  0  0 
 12 15  2  0  0  0  0 
 15 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 17 21  1  0  0  0  0 
 19 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 25  2  0  0  0  0 
 22 26  1  0  0  0  0 
 23 27  2  0  0  0  0 
 26 30  2  0  0  0  0 
 26 31  1  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 30 32  1  0  0  0  0 
 31 33  2  0  0  0  0 
 32 34  2  0  0  0  0 
 33 34  1  0  0  0  0 
M  END
> <ID>
CHEBI:184828

> <NAME>
Eriotriochin

> <STAR>
2

> <IUPAC_NAME>
4-hydroxy-2-[2-(2-hydroxyethoxy)propan-2-yl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrouro[3,2-g]chromen-5-one

> <FORMULA>
C27H30O7

> <MASS>
466.530

> <MONOISOTOPIC_MASS>
466.19915

> <CHARGE>
0

> <SMILES>
O1C(C(OCCO)(C)C)CC=2C1=C(C=3OC=C(C(=O)C3C2O)C4=CC=C(O)C=C4)CC=C(C)C

> <INCHI>
InChI=1S/C27H30O7/c1-15(2)5-10-18-25-19(13-21(34-25)27(3,4)33-12-11-28)23(30)22-24(31)20(14-32-26(18)22)16-6-8-17(29)9-7-16/h5-9,14,21,28-30H,10-13H2,1-4H3

> <INCHIKEY>
GOCBWVPDSGUSDT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
128585-07-9

> <CHEMIDPLUS>
128585-07-9

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050186

$$$$