LMPR0103410003
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
   11.6942    8.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7014    9.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5585    8.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7014   10.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2220    8.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5932    9.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2227    8.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9221    7.6306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8010   10.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6081    9.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8284    9.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5425    7.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414    7.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6941   10.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409   10.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   10.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5719    8.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5954   10.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3861    7.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7524    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772   11.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5068    9.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3045    8.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0640    8.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 10 18  1  6  0  0  0
 11 19  1  0  0  0  0
 11  1  1  6  0  0  0
 12 20  1  6  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
  5 23  1  1  0  0  0
  6 24  1  6  0  0  0
  7 25  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103410003

> <COMMON_NAME>
Matricin

> <SYSTEMATIC_NAME>
(11S)-4-Hydroxy-12-oxo-6alpha,12-epoxyguaia-1(10),2-dien-8alpha-yl acetate

> <FORMULA>
C17H22O5

> <MASS>
306.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Guaiane sesquiterpenoids [PR010341]

> <SYNONYMS>
Proazulene; Prochamazulene

> <INCHI_KEY>
SYTRJRUSWMMZLV-VQGWEXQJSA-N

> <INCHI>
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1

> <SMILES>
O([C@H]1CC(C)=C2C=C[C@](O)(C)[C@]2([H])[C@@]2([H])OC([C@@H](C)[C@@]21[H])=O)C(=O)C

> <KEGG_ID>
C09499

> <HMDB_ID>
-

> <CHEBI_ID>
6699

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92265

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
127986

> <CITATION>
11345709

$$$$