LMPR0104240012
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    5.4625   -4.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2845   -5.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9705   -6.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543   -6.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402   -5.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1178   -5.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2477   -6.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455   -7.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5364   -7.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2382   -5.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9248   -5.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8621   -5.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921   -6.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1850   -7.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -7.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5710   -6.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948   -3.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3844   -4.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5776   -7.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4097   -7.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1749   -8.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070   -7.9603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -6.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
 10  2  1  0     0  0
  6 10  1  0     0  0
  9  3  1  0     0  0
  8  9  1  0     0  0
  7  8  1  0     0  0
  6 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  7  2  0     0  0
  4 15  1  0     0  0
  7 16  1  0     0  0
 11 17  2  0     0  0
  2 18  1  6     0  0
  3 19  1  1     0  0
 15 20  1  0     0  0
 15 21  1  0     0  0
 15 22  1  0     0  0
  4 23  1  6     0  0
  9 22  1  1     0  0
M  END
> <LM_ID>
LMPR0104240012

> <COMMON_NAME>
Clavufuranolide A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O2

> <MASS>
304.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Dolabellane and modified dolabellane diterpenoids [PR010424]

> <SYNONYMS>


> <INCHI_KEY>
WFVXDIDSVCIQEU-DMWGLHFQSA-N

> <INCHI>
InChI=1S/C20H32O2/c1-14-7-6-8-15(2)13-16-17-19(5,10-9-14)11-12-20(17,21)18(3,4)22-16/h8,16-17,21H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,19-,20-/m1/s1

> <SMILES>
C1C[C@]2(O)C(O[C@@H]3CC(C)=CCCC(=C)CC[C@@]1(C)[C@@]23[H])(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119627

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
35097299

$$$$