LMPR0106240001
  LIPID_MAPS_STRUCTURE_DATABASE

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.2702    6.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    6.1289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9859    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7016    6.1289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7016    6.9554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9859    7.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4174    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1331    6.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1331    6.9554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4174    7.3686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4174    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1331    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8488    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5645    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9961    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7118    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4275    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1432    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8590    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5747    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2904    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2904    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5645    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4275    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8488    7.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5727    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7016    7.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7016    5.3025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8488    6.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7219    8.5570    0.0000 O   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
 10  5  1  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 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 14 25  1  0  0  0  0
 18 26  1  0  0  0  0
  9 27  1  1  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 30  1  1  0  0  0
  2 31  1  1  0  0  0
  4 32  1  6  0  0  0
  9 33  1  6  0  0  0
 24 34  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106240001

> <COMMON_NAME>
Myrrhanol A

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H52O3

> <MASS>
460.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Polypodane, malabaricane and podiodane triterpenoids [PR010624]

> <SYNONYMS>


> <INCHI_KEY>
KKOJENOIJUTRDK-FHILKHTASA-N

> <INCHI>
InChI=1S/C30H52O3/c1-22(13-9-15-24(3)21-31)11-8-12-23(2)14-10-16-26-29(6)19-18-27(32)28(4,5)25(29)17-20-30(26,7)33/h11,14-15,25-27,31-33H,8-10,12-13,16-21H2,1-7H3/b22-11+,23-14+,24-15+/t25-,26?,27-,29-,30+/m0/s1

> <SMILES>
C1C[C@]2(C)C(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/CO)\C)[C@@](O)(C)CC[C@@]2([H])C(C)(C)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608309

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2067815

> <CITATION>
15467235

$$$$