LMPK12110822
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
   12.6781    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6781    8.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8294    9.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8294    7.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5269    7.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3758    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3758    8.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5269    9.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2245    9.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0733    8.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9222    9.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9222   10.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0733   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2245   10.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5269    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7712   10.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6184   10.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7712    8.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8294    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9805    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9805    8.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1321    9.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    8.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830    8.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333   10.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8501    7.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    9.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    7.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 21  2  0  0  0  0
 20  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  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  9  1  0  0  0  0
  5 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 24 31  1  1  0  0  0
 23 32  1  1  0  0  0
M  END
> <LM_ID>
LMPK12110822

> <COMMON_NAME>
Torosaflavone C

> <SYSTEMATIC_NAME>
(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione

> <FORMULA>
C22H16O8

> <MASS>
408.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JQIASYPXXAIEFJ-KSFYIVLOSA-N

> <INCHI>
InChI=1S/C22H16O8/c1-8-16-18-15(30-22(16)21(27)19(8)25)7-14-17(20(18)26)11(24)6-13(29-14)9-3-4-12(28-2)10(23)5-9/h3-7,16,22-23,25-26H,1-2H3/t16-,22+/m0/s1

> <SMILES>
C12C(=O)C=C(C3C=CC(OC)=C(O)C=3)OC=1C=C1O[C@@]3([H])C(=O)C(O)=C(C)[C@@]3([H])C1=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258233

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53851

> <CITATION>
-

$$$$