LMPK12070041
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0  0  0  0            999 V2000
    8.9477   -8.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9477   -9.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -9.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5694   -9.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5694   -8.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -7.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802   -9.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1911   -9.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1911   -8.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802   -7.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0016   -9.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0016  -10.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8686  -11.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7355  -10.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7355   -9.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8686   -9.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3887  -10.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -6.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6875  -11.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2758  -10.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6875   -9.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1369   -7.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5692   -6.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5692   -5.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4535   -5.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4133   -5.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4134   -6.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3986   -6.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3988   -8.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3826   -6.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6856   -5.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7321   -8.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663  -10.1100    0.0000 H   0  0  0  0  0  0  0  0  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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 22  1  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 24 31  1  0  0  0  0
  8 32  1  1     0  0
  7 33  1  1     0  0
M  END
> <LM_ID>
LMPK12070041

> <COMMON_NAME>
Nitiducol

> <SYSTEMATIC_NAME>
4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C26H28O5

> <MASS>
420.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MNVKKIZBXXYHDP-MWZUCSFSSA-N

> <INCHI>
InChI=1S/C26H28O5/c1-15(2)5-4-6-16(3)7-8-17-21(27)10-9-18-25(17)28-13-20-19-11-23-24(30-14-29-23)12-22(19)31-26(18)20/h5,7,9-12,20,26-27H,4,6,8,13-14H2,1-3H3/b16-7+/t20-,26-/m1/s1

> <SMILES>
C1(O)C=CC2[C@@]3([H])OC4=CC5OCOC=5C=C4[C@@]3([H])COC=2C=1C/C=C(\C)/CC/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21161133

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$