LMPK12070033
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
   10.7707    9.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6156    8.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    9.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    8.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    7.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1805    7.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0565    7.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0565    8.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1805    9.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6159    8.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    7.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1864    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9316    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9316    6.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7690    6.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6061    6.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6061    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7690    7.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3067    6.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9971    8.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5257    6.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0939    6.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5257    7.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7570    7.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0725    6.5774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4069    7.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0930    9.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6779    8.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9311    8.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9242    8.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0793    7.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2466    8.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2534    9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4207    9.4944    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  1  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 14 12  1  0  0  0  0
  6 19  1  6  0  0  0
  7 20  1  6  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 29  1  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12070033

> <COMMON_NAME>
(-)-Maackiain 3-O-glucoside

> <SYSTEMATIC_NAME>
6aR,12aR-Dihydro-6H-[1,3 ]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-yl]beta-D-glucopyranoside

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Trifolirhizin; Sophojaponicin B1

> <INCHI_KEY>
VGSYCWGXBYZLLE-QEEQPWONSA-N

> <INCHI>
InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2[C@]3([H])OC4C=C5OCOC5=CC=4[C@]3([H])COC=2C=1

> <KEGG_ID>
C10538

> <HMDB_ID>
-

> <CHEBI_ID>
9714

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442827

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 57577

> <CITATION>
-

$$$$