LMPK12140528
  LIPID_MAPS_STRUCTURE_DATABASE

 31 36  0  0  0  0  0  0  0  0999 V2000
    6.9123    7.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    6.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6169    7.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6169    8.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    8.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9123    8.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    6.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3218    7.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3218    8.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    8.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1733    8.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0476    8.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9222    8.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9222    9.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0476   10.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1733    9.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7965    8.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6710    8.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6710    9.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7965   10.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3003   10.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3014    7.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1759    8.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8788    9.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8788    8.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5857    7.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0254    6.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9860   11.0713    0.0000 C   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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140528

> <COMMON_NAME>
Kuwanon D

> <SYSTEMATIC_NAME>
2-(1a,2,3,3a,8b,8c-Hexahydro-6-hydroxy-1,1,3a-trimethyl-4-oxa-1H-benzo[f]cyclobut[cd]inden-7-yl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IJVOVAHXZFALHZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3

> <SMILES>
C1C(O)=CC2OC(C3C(O)=CC4OC5(C)CCC6C5C(C6(C)C)C=4C=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030861

> <CHEBI_ID>
175376

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3081548

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3498

> <CITATION>
17401885

$$$$