LMPK12070113
  LIPID_MAPS_STRUCTURE_DATABASE

 29 34  0  0  0  0  0  0  0  0999 V2000
   10.1123   -5.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123   -6.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492   -6.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7861   -6.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7861   -5.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492   -4.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228   -6.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4597   -6.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4597   -5.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228   -4.8524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2963   -6.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2963   -7.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1911   -8.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0856   -7.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0856   -6.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1911   -6.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6255   -7.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2963   -5.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0683   -8.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6755   -7.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0683   -6.4658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1933   -5.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253   -5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1933   -6.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593   -5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1764   -6.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1764   -4.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593   -7.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1017   -7.2143    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  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
  8 18  1  6     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 15  1  0     0  0
  1 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24  2  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 26 28  1  0     0  0
  7 29  1  6     0  0
M  END
> <LM_ID>
LMPK12070113

> <COMMON_NAME>
Hildecarpidin

> <SYSTEMATIC_NAME>
(6aS,11aS)-4',5'-Dihydroxy-6a-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-8,9-methylenedioxy-furano[2',3':3,2]pterocarpan

> <FORMULA>
C21H18O7

> <MASS>
382.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DJHQWCYVXKGRAS-WCWOBGJUSA-N

> <INCHI>
InChI=1S/C21H18O7/c1-10(7-22)14-3-11-2-12-16(5-15(11)27-14)24-8-21(23)13-4-18-19(26-9-25-18)6-17(13)28-20(12)21/h2,4-6,14,20,22-23H,1,3,7-9H2/t14?,20-,21+/m0/s1

> <SMILES>
C12OC(C(=C)CO)CC1=CC1[C@]3([H])OC4C=C5OCOC5=CC=4[C@]3(O)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178335945

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$