LMPK12080043
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.8721   10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8721    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    9.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952   10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837   10.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3067    9.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1182    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1182   10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3067   10.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    9.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    8.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7975    7.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6653    8.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6653    9.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7975    9.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1182    7.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837   11.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7975    6.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8398    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4767    7.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7401    8.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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  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  2  0  0  0  0
 12 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 11  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
  2 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080043

> <COMMON_NAME>
Machaerol C

> <SYSTEMATIC_NAME>
6,8,2'-Trihydroxy-7,3',4'-trimethoxyisoflavan

> <FORMULA>
C18H20O7

> <MASS>
348.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MPMBSINUBZFOIE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H20O7/c1-22-13-5-4-11(14(20)18(13)24-3)10-6-9-7-12(19)17(23-2)15(21)16(9)25-8-10/h4-5,7,10,19-21H,6,8H2,1-3H3

> <SMILES>
C1(OC)C(O)=CC2CC(C3C=CC(OC)=C(OC)C=3O)COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169389

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257514

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1954621

> <CITATION>
-

$$$$