LMPK12120277
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
   10.5870    8.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2959    7.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0047    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0047    8.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2959    8.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1431    7.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8519    7.2175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4345    7.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7197    7.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4345    6.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7197    8.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0155    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3114    8.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3114    7.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0155    7.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0155    6.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238    8.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7133    7.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2959    9.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873   10.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873   10.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8787   11.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2959   11.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0352    6.3691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0075    6.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4564    5.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    6.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6681    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1158    5.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8519    8.1566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7133    8.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4219    8.4190    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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  4 19  1  0  0  0  0
 20 14  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27  3  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  8 32  1  1  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120277

> <COMMON_NAME>
Antiarone J

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H32O7

> <MASS>
456.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZCVGLTYGHRXWLX-IEBWSBKVSA-N

> <INCHI>
InChI=1S/C26H32O7/c1-13(2)6-7-14-8-16-17(12-22(30)23-20(28)9-15(27)10-21(23)29)19(26(3,4)32)11-18(16)24(31)25(14)33-5/h6,8-10,17,19,27-29,31-32H,7,11-12H2,1-5H3/t17-,19-/m1/s1

> <SMILES>
C1=C(C/C=C(\C)/C)C(OC)=C(O)C2C[C@@H](C(O)(C)C)[C@@]([H])(C1=2)CC(=O)C1C(O)=CC(O)=CC=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186474

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607617

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$