LMPK12060023
  LIPID_MAPS_STRUCTURE_DATABASE

 29 34  0     0  0            999 V2000
    7.6526   10.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6526    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    8.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   10.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889   10.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1614    8.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978   10.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1614   10.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8340    8.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704   10.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8340   10.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8340    7.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704    7.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5065    7.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5065    8.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8711    6.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8315    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2242    6.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978   10.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978    8.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1614    7.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6346   10.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    8.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889   11.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438   12.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  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
  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  9 22  1  1  0  0  0
  8 23  1  1  0  0  0
  7 24  2  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  2  1  0  0  0  0
  6 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060023

> <COMMON_NAME>
Pachyrrhizone

> <SYSTEMATIC_NAME>
(6aS)-6a,13aalpha-Dihydro-8-methoxy-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one

> <FORMULA>
C20H14O7

> <MASS>
366.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RZZBXVGBWLOHHV-CVEARBPZSA-N

> <INCHI>
InChI=1S/C20H14O7/c1-22-20-18-9(2-3-23-18)4-11-17(21)16-10-5-13-14(26-8-25-13)6-12(10)24-7-15(16)27-19(11)20/h2-6,15-16H,7-8H2,1H3/t15-,16+/m1/s1

> <SMILES>
C12OC=CC=1C=C1C(=O)[C@@]3([H])C4C=C5OCOC5=CC=4OC[C@@]3([H])OC1=C2OC

> <KEGG_ID>
C10512

> <HMDB_ID>
-

> <CHEBI_ID>
7886

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442814

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 109171

> <CITATION>
-

$$$$