LMPR0104410001
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.1606   10.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    9.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    9.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    9.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926   10.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   11.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585    9.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6246    9.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6246   10.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585   11.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585   12.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926   12.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   12.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585    8.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    8.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195    7.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5784    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3535    7.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6246   12.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926   13.5334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    8.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   10.0334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   14.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   15.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606   13.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  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
  5 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
  7 14  2  0  0  0  0
  3 15  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  2  0  0  0  0
  1 20  1  1  0  0  0
 11 21  1  1  0  0  0
 12 22  1  1  0  0  0
  4 23  1  1  0  0  0
  6 24  1  1  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104410001

> <COMMON_NAME>
Sinulobatin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H30O3

> <MASS>
342.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Amphilectane, cycloamphilectane, adociane and neoamphilectane diterpenoids [PR010441]

> <SYNONYMS>


> <INCHI_KEY>
GPKYQTWWGVHMSD-XYTVEFIISA-N

> <INCHI>
InChI=1S/C22H30O3/c1-11(2)9-18-20-12(3)7-8-16-13(4)19(25-15(6)23)10-17(21(16)20)14(5)22(18)24/h9,13-14,17-20H,3,7-8,10H2,1-2,4-6H3/t13-,14-,17-,18+,19+,20+/m0/s1

> <SMILES>
[C@H]1(C)[C@]2([H])C[C@@H](OC(C)=O)[C@@H](C)C3=C2[C@]([H])(C(=C)CC3)[C@@H](/C=C(\C)/C)C1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166680

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10427503

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
668468

> <CITATION>
-

$$$$