LMPK12020281
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    9.8451    9.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690    8.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4927    9.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4927   10.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690   10.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451   10.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3680   10.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    6.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    6.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8950    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8950    8.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    9.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    9.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4061    8.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4061    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8165    9.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8165   10.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6051   11.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6051   12.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3462   10.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5190    9.8627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4222    8.2182    0.0000 O   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
  4  7  1  0  0  0  0
  8  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 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 11  1  1  6  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  2  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  1  0  0  0
 12 23  1  1  0  0  0
 23 24  2  0  0  0  0
M  END
> <LM_ID>
LMPK12020281

> <COMMON_NAME>
(+)-Acutifolin A

> <SYSTEMATIC_NAME>
(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione

> <FORMULA>
C20H22O4

> <MASS>
326.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LDQGHYBYTNQNFR-VDGAXYAQSA-N

> <INCHI>
InChI=1S/C20H22O4/c1-13(2)7-12-20-16(14-3-5-15(21)6-4-14)8-10-19(24,18(20)23)11-9-17(20)22/h3-7,9,11,16,21,24H,8,10,12H2,1-2H3/t16-,19-,20-/m0/s1

> <SMILES>
C1([C@H]2[C@@]3(C(=O)[C@@](O)(C=CC3=O)CC2)C/C=C(\C)/C)C=CC(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178217

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11067365

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
11754597

$$$$