LMPK12050205
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.5311    9.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    8.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940    7.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2569    8.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2569    9.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940    9.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1198    7.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9828    8.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9828    9.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1198    9.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453    7.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453    6.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7680    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6905    6.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6905    7.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7680    8.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1198    6.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940    6.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6682    9.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8053    9.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8053    8.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6682    7.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820    9.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6122    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940   10.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566   11.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566   12.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1192   12.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940   12.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
  6 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
M  END
> <LM_ID>
LMPK12050205

> <COMMON_NAME>
Warangalone

> <SYSTEMATIC_NAME>
5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Scandenone

> <INCHI_KEY>
HGHOPAZIUPORIN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC(O)=CC=3)=COC=1C=2C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5379679

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1225699

> <CITATION>
-

$$$$