LMPK12070005
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.8316   -4.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736   -5.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5163   -4.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3584   -5.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3584   -6.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2317   -6.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1051   -6.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1051   -5.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2317   -4.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6737   -6.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5163   -6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2374   -7.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9779   -6.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9779   -7.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8128   -8.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6479   -7.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6479   -6.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8128   -6.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4830   -8.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8178   -6.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1214   -7.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4439   -6.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1419   -4.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7097   -5.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9859   -5.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9791   -6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1281   -6.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2895   -6.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2964   -5.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -4.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4831   -9.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6461   -5.8977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6754   -7.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  4  1  0     0  0
  2 10  1  0     0  0
 10 11  2  0     0  0
 11  5  1  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
 14 12  1  0     0  0
 16 19  1  0     0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25  1  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
 19 31  1  0     0  0
  7 32  1  6     0  0
  6 33  1  6     0  0
M  END
> <LM_ID>
LMPK12070005

> <COMMON_NAME>
Medicarpin 3-O-glucoside

> <SYSTEMATIC_NAME>
[[(6aR)-6aalpha,11aalpha-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran]-3-yl] beta-D-glucopyranoside

> <FORMULA>
C22H24O9

> <MASS>
432.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PVEMGMOWXQUWRD-NJAOXFEXSA-N

> <INCHI>
InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,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=C(OC)C=CC=4[C@]3([H])COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033855

> <CHEBI_ID>
80390

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23724664

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3879

> <CITATION>
-

$$$$