LMPR0105050004
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    7.9399   -4.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9399   -3.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -2.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6753   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7198   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550   -4.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550   -3.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7198   -2.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034   -6.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1764   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0136   -4.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4487   -3.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629   -3.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4487   -4.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848   -4.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6769   -7.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9770   -3.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8409   -1.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021   -4.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810   -2.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550   -5.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0376   -5.8198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7708   -2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7901   -1.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0733   -1.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1122   -0.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4147   -0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7368    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0394    1.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3954   -0.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043   -3.0108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  3  1  0     0  0
  7  8  1  0     0  0
  6  7  1  0     0  0
  5  6  1  0     0  0
  4  5  1  0     0  0
  1  4  1  0     0  0
  2  3  2  0     0  0
  1  2  1  0     0  0
  4  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11  1  1  0     0  0
  7 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  6  1  0     0  0
 11 15  2  0     0  0
  9 16  1  0     0  0
  2 17  1  0     0  0
 17 18  2  0     0  0
  1 19  1  6     0  0
  7 20  1  6     0  0
  6 21  1  1     0  0
  4 22  1  1     0  0
 12 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  1     0  0
 24 26  2  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 28 30  1  0     0  0
 28 31  1  0     0  0
 27 32  1  0     0  0
 12 33  1  6     0  0
 32 34  1  0     0  0
M  END
> <LM_ID>
LMPR0105050004

> <COMMON_NAME>
Ophiobolin R

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H38O4

> <MASS>
414.28

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C25 isoprenoids (sesterterpenes) [PR0105]

> <CLASS_LEVEL4>
Cheilanthane and ophiobolane sesterterpenoids [PR010505]

> <SYNONYMS>


> <INCHI_KEY>
VDDDNUHBNZDCIZ-KKWBKKBKSA-N

> <INCHI>
InChI=1S/C26H38O4/c1-16(7-10-23(30-6)25(3,4)29)19-11-12-26(5)14-20-17(2)13-22(28)24(20)18(15-27)8-9-21(19)26/h7-8,10,13,15-16,19-21,23-24,29H,9,11-12,14H2,1-6H3/b10-7-,18-8-/t16-,19+,20+,21-,23?,24-,26+/m0/s1

> <SMILES>
[C@@]12([H])C(=O)C=C(C)[C@@]1([H])C[C@@]1(C)CC[C@]([H])([C@@H](C)/C=C\C(OC)C(C)(O)C)[C@]1([H])CC=C2C=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73386895

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1914427

> <CITATION>
23954177

$$$$