LMPR0103590004
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    7.2326    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9645    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9645    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    7.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5034    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    9.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3665    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3665   10.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    6.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7666    6.7357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0517    6.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    6.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    5.2500    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0     0  0
 12 13  1  0     0  0
  3 14  1  0     0  0
 14 15  1  0     0  0
 15  2  1  0     0  0
 15 16  1  1     0  0
  4 17  1  1     0  0
  2 18  1  6     0  0
  3 19  1  6     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 20  2  0     0  0
 20 26  1  0     0  0
 24 27  1  0     0  0
 22 28  1  0     0  0
 21 29  1  0     0  0
 29 30  2  0     0  0
 29 16  1  0     0  0
M  END
> <LM_ID>
LMPR0103590004

> <COMMON_NAME>
Armillanal A

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H30O5

> <MASS>
398.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Illudane and protoilludane sesquiterpenoids [PR010359]

> <SYNONYMS>


> <INCHI_KEY>
NGRGGILBMVLNML-LTLLVOOCSA-N

> <INCHI>
InChI=1S/C24H30O5/c1-13-6-17(26)8-19(27)21(13)14(2)29-20-11-23(5)18-10-22(3,4)9-15(18)7-16(12-25)24(20,23)28/h6-9,18,20,25-28H,2,10-12H2,1,3-5H3/t18-,20+,23+,24-/m0/s1

> <SMILES>
C1(CO)=CC2=CC(C)(C)C[C@]2([H])[C@@]2(C)C[C@@H](OC(=C)C3=C(C)C=C(O)C=C3O)[C@@]12O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
47427

> <CITATION>
38946608

$$$$