LMPK12060038
  LIPID_MAPS_STRUCTURE_DATABASE

 29 34  0     0  0            999 V2000
    7.8576   10.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8576    9.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7050    8.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524    9.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524   10.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7050   10.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999    8.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2473    9.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2473   10.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999   10.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942    8.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0943    7.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0003    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9064    7.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9064    8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0003    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999    7.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0414   10.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947   10.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2473    8.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2179    6.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2583    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6839    7.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5017   11.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5285   11.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1305   10.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0391   12.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5285   13.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.6260    0.0000 C   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  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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  8 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
  1  2  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  1  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060038

> <COMMON_NAME>
12a-Hydroxyisomillettone

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H18O7

> <MASS>
394.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZHVWUSXXZNSTGY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H18O7/c1-10(2)15-5-12-14(28-15)4-3-11-20(12)29-19-8-25-16-7-18-17(26-9-27-18)6-13(16)22(19,24)21(11)23/h3-4,6-7,15,19,24H,1,5,8-9H2,2H3

> <SMILES>
C12OC(C(C)=C)CC=1C1OC3COC4=C(C=C5OCOC5=C4)C3(O)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257410

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$