LMPK12140175
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    6.9064    8.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9064    7.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520    7.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    7.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    8.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520    8.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434    7.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2891    7.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2891    8.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434    8.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1351    8.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9969    8.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8589    8.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8589    9.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9970   10.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1351    9.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520    9.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063   10.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063   11.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520   11.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9063   12.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  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
  9 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
  7 17  2  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  3 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140175

> <COMMON_NAME>
Tephrowatsin C

> <SYSTEMATIC_NAME>
5-Hydroxy-7-methoxy-8-C-(3-hydroxy-3-methylbutyl) flavanone

> <FORMULA>
C21H24O5

> <MASS>
356.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OHGGGSHTYPJICB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H24O5/c1-21(2,24)10-9-14-18(25-3)12-16(23)19-15(22)11-17(26-20(14)19)13-7-5-4-6-8-13/h4-8,12,17,23-24H,9-11H2,1-3H3

> <SMILES>
C1(OC)=C(CCC(O)(C)C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168000

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607874

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3091573

> <CITATION>
-

$$$$