LMPK12050509
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    7.5758    9.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5758    8.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    7.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290    8.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290    9.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    9.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0557    7.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8823    8.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8823    9.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0557    9.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254    7.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254    6.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6092    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4931    6.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4931    7.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6092    8.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0557    6.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3760    6.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    6.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8823    7.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2606    6.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2606    7.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3770    8.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2342    6.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7474    6.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6092    9.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8961   10.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 15  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050509

> <COMMON_NAME>
Sophoronol

> <SYSTEMATIC_NAME>
3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavanone

> <FORMULA>
C21H20O7

> <MASS>
384.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SYJLLCMGTNPNAB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O7/c1-20(2)7-6-12-15(28-20)5-4-13(18(12)26-3)21(25)10-27-16-9-11(22)8-14(23)17(16)19(21)24/h4-9,22-23,25H,10H2,1-3H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(O)(C3=C(OC)C4C=CC(C)(C)OC=4C=C3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15138471

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 228658

> <CITATION>
-

$$$$