LMPK12070005
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
   10.0498    9.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7345    9.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5766    8.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5766    7.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4499    7.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    7.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    8.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4499    9.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    7.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7345    7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4556    6.3889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1961    7.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1961    6.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0310    5.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8661    6.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8661    7.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0310    7.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7012    5.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    7.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3396    6.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6621    7.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3601    9.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9279    8.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2041    8.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1973    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3463    7.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5077    7.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5146    8.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    9.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7013    4.9322    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
 16 19  1  0  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
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-BQRNWOBUSA-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-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2C3OC4C=C(OC)C=CC=4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033855

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11972405

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3880

> <CITATION>
12590110

$$$$