LMPR0104140003
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2763    7.1080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9982    6.6912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7200    7.1080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7200    7.9415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9982    8.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763    7.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    6.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    7.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    7.9415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4419    8.3583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8856    8.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8856    9.1918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1637    9.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    9.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7200    8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5814    5.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149    5.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    9.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7200    6.5522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    7.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750    8.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9688    7.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9982    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8850   10.6345    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
  3  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  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  4 15  1  6  0  0  0
  2 16  1  6  0  0  0
  2 17  1  1  0  0  0
 12 18  1  1  0  0  0
  3 19  1  1  0  0  0
 10 20  1  1  0  0  0
 12 21  1  0  0  0  0
  9 22  1  0  0  0  0
 21 22  2  0  0  0  0
  1 23  1  6  0  0  0
 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104140003

> <COMMON_NAME>
(+)-Beyerol

> <SYSTEMATIC_NAME>
(+)-15-beyerene-3alpha,17,19-triol

> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Beyerane diterpenoids [PR010414]

> <SYNONYMS>


> <INCHI_KEY>
HMKFWGVTZPRBQX-QMNUTNMBSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-17-6-5-16(23)18(2,12-21)14(17)4-8-20-10-9-19(11-20,13-22)7-3-15(17)20/h9-10,14-16,21-23H,3-8,11-13H2,1-2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1

> <SMILES>
[C@@H]1(O)CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)CC[C@]2([H])[C@]1(C)CO)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186011

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5352010

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$