LMPK12070125
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0            999 V2000
    8.0702   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0702   -5.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8923   -6.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142   -5.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8923   -4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5363   -6.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3584   -5.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3584   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5363   -4.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801   -6.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801   -7.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0590   -7.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9379   -7.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9379   -6.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0590   -5.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5449   -7.4461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8169   -7.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6956   -7.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6956   -6.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8169   -5.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -4.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1703   -8.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6449   -7.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1805   -5.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0550   -6.8543    0.0000 H   0  0  0  0  0  0  0  0  0  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  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 15  1  0     0  0
  1 22  1  0     0  0
 19 23  1  0     0  0
 19 24  1  0     0  0
  8 25  1  1     0  0
  7 26  1  1     0  0
M  END
> <LM_ID>
LMPK12070125

> <COMMON_NAME>
Tuberosin

> <SYSTEMATIC_NAME>
(6aR,13aR)-10,10-Dimethyl-6H,10H-furo[3,2-c:4,5-g']bis[1]benzopyran-3,6a(13aH)-diol

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZBTYHECJEINCMD-QUCCMNQESA-N

> <INCHI>
InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1

> <SMILES>
C1(O)C=CC2[C@@]3([H])OC4=CC5OC(C)(C)C=CC=5C=C4[C@@]3(O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318770

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 457826

> <CITATION>
-

$$$$