LMPK12060015
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    8.0261   10.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0261    9.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    9.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7090    9.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7090   10.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675   11.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5504    9.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3919    9.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3919   10.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5504   11.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    9.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1327    7.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0324    8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0324    9.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1327    9.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5504    8.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1737   10.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2333   11.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656   12.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992   12.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   11.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2135   13.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992   13.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2418   13.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7276   13.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1327    6.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8738    7.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8738    6.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667    6.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2276   14.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  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  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0     0  0
 27 30  1  0     0  0
 26 31  1  0     0  0
M  END
> <LM_ID>
LMPK12060015

> <COMMON_NAME>
Amorphigenol

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O8

> <MASS>
428.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6',7'-Dihydro-6',7'-dihydroxyrotenone

> <INCHI_KEY>
HCVCUIIDODCONY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H24O8/c1-23(26,10-24)19-7-13-14(30-19)5-4-11-21(25)20-12-6-16(27-2)17(28-3)8-15(12)29-9-18(20)31-22(11)13/h4-6,8,18-20,24,26H,7,9-10H2,1-3H3

> <SMILES>
C12OC(C(CO)(O)C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187689

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100157

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$