LMPK12080005
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.6599   12.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6599   11.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929   10.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3257   11.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3257   12.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929   12.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1587   10.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   11.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   12.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1587   12.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8243   10.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8243    9.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7148    9.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6053    9.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6053   10.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7148   11.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7148   12.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9285    8.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9513    8.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3695    9.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4649    7.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9524    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4902    7.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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
 17  1  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080005

> <COMMON_NAME>
Crotmarine

> <SYSTEMATIC_NAME>
3-(6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)chroman-7-ol

> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QSBNBPUPUBDYQE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-11(2)18-7-13-6-16(17(22)9-20(13)24-18)14-5-12-3-4-15(21)8-19(12)23-10-14/h3-4,6,8-9,14,18,21-22H,1,5,7,10H2,2H3

> <SMILES>
C1(O)=CC2OCC(C3C(O)=CC4OC(C(C)=C)CC=4C=3)CC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 890033

> <CITATION>
-

$$$$