LMPK12110997
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9003    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9003    6.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5932    6.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    6.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5932    7.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9788    6.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    6.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9788    7.6472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9788    5.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8820    8.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    8.5431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3649    9.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893   10.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8820   10.5526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1063    9.7672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0962   11.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3205   10.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2891    9.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901    7.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1201    7.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8502    7.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8502    8.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1201    8.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901    8.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5798    8.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5932    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  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
  7 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13  6  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 21  9  1  0  0  0  0
 24 27  1  0  0  0  0
  3 28  1  0  0  0  0
  1 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110997

> <COMMON_NAME>
Aciculatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O8

> <MASS>
414.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RUTGHCUXABPJTJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3

> <SMILES>
C1(OC)=C(C2CC(O)C(O)C(C)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258340

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$