LMPR0103330004
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    8.6581    8.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6581    9.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5265    7.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7936    7.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5265    9.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7936    9.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    8.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5265    6.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250    8.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    9.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5265   10.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250    9.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7936   10.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2553    7.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6621    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3951    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2553    9.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3951   11.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103330004

> <COMMON_NAME>
Hemigossypol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H16O4

> <MASS>
260.10

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Cadinane sesquiterpenoids [PR010333]

> <SYNONYMS>


> <INCHI_KEY>
WWHRTLINNBKCGL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3

> <SMILES>
C12C=C(C=C(O)C=1C(C=O)=C(C(O)=C2C(C)C)O)C

> <KEGG_ID>
C09680

> <HMDB_ID>
-

> <CHEBI_ID>
5654

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
115300

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3635

> <CITATION>
22369216

$$$$