LMPK12070049
  LIPID_MAPS_STRUCTURE_DATABASE

 31 36  0  0  0  0  0  0  0  0999 V2000
    9.3872    9.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3872    8.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2187    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0502    8.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0502    9.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2187    9.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8817    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7134    8.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7134    9.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8817    9.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5444    7.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5444    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4337    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3226    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3226    7.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4337    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8817    6.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2187   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2990    6.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9024    7.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2990    7.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3872   10.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556   10.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556    9.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556   11.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239   10.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239   11.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922   12.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922   13.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239   13.8421    0.0000 C   0  0  0  0  0  0  0  0  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  1  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  1  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070049

> <COMMON_NAME>
Nitiducarpin

> <SYSTEMATIC_NAME>
6a,12a-Dihydro-2-methyl-2-(4-methyl-3-pentenyl)-2H,6H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran

> <FORMULA>
C26H26O5

> <MASS>
418.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BRJDSJJWJLKHSZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H26O5/c1-15(2)5-4-9-26(3)10-8-16-20(31-26)7-6-17-24(16)27-13-19-18-11-22-23(29-14-28-22)12-21(18)30-25(17)19/h5-8,10-12,19,25H,4,9,13-14H2,1-3H3

> <SMILES>
C12OC(CC/C=C(\C)/C)(C)C=CC=1C1OCC3C4=CC5OCOC=5C=C4OC3C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
630656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$