LMPK12140055
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.5747    7.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    7.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    8.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    9.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    8.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    7.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4173    7.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3384    7.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3384    8.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4173    9.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4173    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    9.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2832    8.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1387    9.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1387   10.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2832   10.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277   10.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8786   10.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747   10.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109   10.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471   10.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471    9.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109   11.6008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077   11.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1450    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  9 12  1  6  0  0  0
 15 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  5  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140055

> <COMMON_NAME>
Brosimacutin D

> <SYSTEMATIC_NAME>
(2S)-3,4,9,10-Tetrahydro-2-(4-hydroxyphenyl)-9-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C20H20O5

> <MASS>
340.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AZGSCHIQUAKTNP-ZENAZSQFSA-N

> <INCHI>
InChI=1S/C20H20O5/c1-20(2)18(23)9-14-16(25-20)8-7-13-15(22)10-17(24-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21,23H,9-10H2,1-2H3/t17-,18?/m0/s1

> <SMILES>
C1C=C2OC(C)(C)C(O)CC2=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192890

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10914766

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
12502325

$$$$