LMPR0104040014
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.7858    8.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858    7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    9.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    7.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    8.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146    8.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146    7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6503    9.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6503    7.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3790    9.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6503   10.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146   10.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858    6.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5551    9.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5145   11.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7060   12.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   13.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0142   13.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    6.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875    5.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858    9.8503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230   12.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740   12.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
  7 11  1  6  0  0  0
  9 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 16  1  0  0  0  0
  2 14  1  6  0  0  0
  9 15  1  6  0  0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
  4 20  1  0     0  0
 20 21  1  0     0  0
  1 22  1  1  0  0  0
 23 16  1  0     0  0
 19 23  1  0     0  0
 23 24  2  0     0  0
M  END
> <LM_ID>
LMPR0104040014

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
neocleroda-3,13-diene-15,16-olide-18-ol

> <FORMULA>
C20H30O3

> <MASS>
318.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Colensane and clerodane diterpenoids [PR010404]

> <SYNONYMS>


> <INCHI_KEY>
WTKDUFVJTCCRNV-JBCDFXQESA-N

> <INCHI>
InChI=1S/C20H30O3/c1-14-7-10-20(3)16(13-21)5-4-6-17(20)19(14,2)11-8-15-9-12-23-18(15)22/h5,9,14,17,21H,4,6-8,10-13H2,1-3H3/t14-,17-,19+,20+/m1/s1

> <SMILES>
[C@]12([H])[C@@](C)(CC[C@@H](C)[C@]1(C)CCC1C(=O)OCC=1)C(CO)=CCC2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117854

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
342061

> <CITATION>
37579813

$$$$