LMPK12070027
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0            999 V2000
    8.6321   -5.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6321   -6.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4518   -6.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2713   -6.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2713   -5.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4518   -5.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0909   -6.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104   -6.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104   -5.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0909   -5.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7297   -6.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7297   -7.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6061   -8.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4822   -7.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4822   -6.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6061   -6.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0933   -7.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8129   -5.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4518   -4.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6325   -3.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6325   -2.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131   -2.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4518   -2.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3576   -8.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6061   -9.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4822   -9.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3576   -9.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2767   -8.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3576  -10.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4675   -5.9562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5846   -7.2841    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
  1 18  1  0     0  0
  6 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 14 24  1  0     0  0
 13 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 24  1  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
  8 30  1  6     0  0
  7 31  1  6     0  0
M  END
> <LM_ID>
LMPK12070027

> <COMMON_NAME>
Erybraedin B

> <SYSTEMATIC_NAME>
(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,10]pterocarpan

> <FORMULA>
C25H26O4

> <MASS>
390.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XDRMVDDOBVPELW-CYFREDJKSA-N

> <INCHI>
InChI=1S/C25H26O4/c1-14(2)5-6-16-20(26)9-7-18-22(16)27-13-19-15-8-10-21-17(23(15)28-24(18)19)11-12-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/m0/s1

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC[C@@]3([H])C4C=CC5OC(C)(C)C=CC=5C=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45268827

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2708827

> <CITATION>
-

$$$$