LMPR0103370011
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0     0  0            999 V2000
    6.0813    8.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    7.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9503    7.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194    7.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194    8.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9503    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884    7.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5574    7.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5574    8.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194    9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4486    6.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4520    6.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194    6.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8970   10.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8949   10.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3030    9.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2314   10.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884    8.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5498    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5498    4.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4112    6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2727    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341    6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9955    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8569    6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7184    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5799    6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2812    9.2202    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  5 11  1  1  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  6  0  0  0
  7 15  1  1     0  0
 10 16  1  0     0  0
 16 17  1  0     0  0
 18  9  1  0     0  0
 16 19  2  0     0  0
 10 20  1  6     0  0
 15 21  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 18 30  1  0     0  0
M  END
> <LM_ID>
LMPR0103370011

> <COMMON_NAME>
Ustusoic acid A

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H32O6

> <MASS>
404.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Drimane sesquiterpenoids [PR010337]

> <SYNONYMS>


> <INCHI_KEY>
WQJXWXRSOBXAGZ-XLDMSTKGSA-N

> <INCHI>
InChI=1S/C23H32O6/c1-5-6-7-8-9-11-18(25)29-17-14-16(15-24)23(28,20(26)27)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19,24,28H,10,12-13,15H2,1-4H3,(H,26,27)/b6-5+,8-7+,11-9+/t17-,19+,22+,23+/m1/s1

> <SMILES>
C1C[C@]2(C)[C@@](O)(C(=O)O)C(CO)=C[C@@H](OC(/C=C/C=C/C=C/C)=O)[C@@]2([H])C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
97423496

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40382

> <CITATION>
33346651

$$$$