LMPR0103420002
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.3802    7.8149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8449    7.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802    6.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    7.1782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2290    6.4725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9554    5.8529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7643    5.8014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6284    6.5757    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0034    6.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    7.9010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0034    8.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6366    7.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1085    5.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7643    8.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666    5.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6211    5.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3169    7.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6058    7.5912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6058    8.3859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6058    6.7823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6058    5.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 19  1  1  0  0  0  0
  3  2  1  0  0  0  0
 13  2  2  0  0  0  0
 21 19  1  0  0  0  0
 19 11  1  0  0  0  0
 21  3  1  0  0  0  0
 17  3  2  0  0  0  0
 21  9  1  0  0  0  0
  5  4  1  0  0  0  0
  8  4  1  0  0  0  0
 10  4  1  0  0  0  0
  4 18  1  6  0  0  0
  7  5  1  0  0  0  0
  9  5  1  0  0  0  0
  5 16  1  1  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 12  1  6  0  0  0
  7 14  1  1  0  0  0
  8 12  1  6  0  0  0
 11 10  1  0  0  0  0
 10 15  1  6  0  0  0
 19 20  1  1  0  0  0
 21 22  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103420002

> <COMMON_NAME>
amaralin

> <SYSTEMATIC_NAME>
(1aR,1bS,2R,3aS,6aR,7aS,8R,8aS)-8-hydroxy-2,7a-dimethyl-6-methylidene-1a,1b,2,3,3a,6a,7,7a,8,8a-decahydrooxireno[1,2]azuleno[6,5-b]furan-5(6H)-one

> <FORMULA>
C15H20O4

> <MASS>
264.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Pseudoguaiane sesquiterpenoids [PR010342]

> <SYNONYMS>
Amaralin

> <INCHI_KEY>
XPNBRTWIMIGGMT-MIPSWGQUSA-N

> <INCHI>
InChI=1S/C15H20O4/c1-6-4-9-8(7(2)14(17)18-9)5-15(3)10(6)11-12(19-11)13(15)16/h6,8-13,16H,2,4-5H2,1,3H3/t6-,8-,9+,10-,11-,12-,13+,15+/m1/s1

> <SMILES>
O1[C@@]2([H])C[C@@H](C)[C@]3([H])[C@H]4O[C@H]4[C@H](O)[C@@]3(C)C[C@]2([H])C(=C)C1=O

> <KEGG_ID>
C09291

> <HMDB_ID>
-

> <CHEBI_ID>
2620

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100302

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$