LMPK12050243
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    8.5874   10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5874    9.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4311    8.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2749    9.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2749   10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4311   10.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    8.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9624    9.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9624   10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186   10.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8058    8.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8058    7.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    7.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6101    7.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6101    8.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    9.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    7.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7439    8.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7439   10.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4311    7.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5114    7.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7439    7.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    7.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    6.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5123    9.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4135    8.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3129    9.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3129   10.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2105    8.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    6.3606    0.0000 O   0  0  0  0  0  0  0  0  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  2  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
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050243

> <COMMON_NAME>
Isoangustone A

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QNLGNISMYMFVHP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C(O)=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038905

> <CHEBI_ID>
175387

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21591148

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46347

> <CITATION>
-

$$$$