LMPK12130062
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.5782   -7.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386   -6.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9313   -7.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7637   -8.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5033   -8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4106   -8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3969   -6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632   -6.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2003   -5.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1679   -6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7897   -5.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2586   -6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1965   -6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6654   -5.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1965   -4.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2586   -4.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790   -6.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3846   -7.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8076   -8.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632   -5.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9578   -4.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0795   -7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0878   -7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  4  1  0  0  0  0
  8 20  1  0  0  0  0
  7 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130062

> <COMMON_NAME>
Castillene B

> <SYSTEMATIC_NAME>
2,3-Dihydro-2,3-dimethoxy-2-(phenylmethyl)benzo[1,2-b:3,4-b']difuran

> <FORMULA>
C19H18O4

> <MASS>
310.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SROUQLDEOKTEER-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O4/c1-20-18-15-8-9-16-14(10-11-22-16)17(15)23-19(18,21-2)12-13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3

> <SMILES>
C12C(OC)C(OC)(CC3C=CC=CC=3)OC=1C1C=COC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14484593

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1959022

> <CITATION>
-

$$$$