LMPR0104420002
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.3354    7.1218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3354    6.2972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9185    5.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9185    7.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    5.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    7.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    7.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    5.9130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1963    6.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6213    7.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9072    7.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9072    6.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6213    5.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1220    5.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1220    7.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1433    5.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6213    8.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354    8.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354    9.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0495   10.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7637    9.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0495   10.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7637   10.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1433    7.9183    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
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9  8  1  0  0  0  0
  3 10  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  2  1  0  0  0  0
  2 15  1  1  0  0  0
  1 16  1  6  0  0  0
 12 17  2  0  0  0  0
  8 18  1  6  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104420002

> <COMMON_NAME>
Xeniolit A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O4

> <MASS>
332.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Xenicane and xeniaphyllane diterpenoids [PR010442]

> <SYNONYMS>


> <INCHI_KEY>
ZHNTWXWAMWPYNI-ISMBWBSXSA-N

> <INCHI>
InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10+,17-6+/t15-,16+,18-/m0/s1

> <SMILES>
[C@@]12([H])/C(=C\C=C\C(O)(C)C)/C(=O)OC[C@@]1([H])C(=C)C[C@@H](O)C=C(C)CC2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184475

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21603665

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$