LMPR0104040005
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    7.7867    8.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    7.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    9.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    8.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    7.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156    8.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156    7.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513    9.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513    7.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    6.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3802    9.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156   10.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    9.8514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    6.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5561    9.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5155   11.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922    9.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0566    5.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7879    5.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7070   12.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0159   13.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153   13.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3242   12.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4283   14.1946    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
  4 11  1  0  0  0  0
  7 12  1  6  0  0  0
  9 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 18  1  0  0  0  0
  1 15  1  1  0  0  0
  2 16  1  6  0  0  0
  9 17  1  6  0  0  0
  5 19  1  1     0  0
 11 20  2  0     0  0
 11 21  1  0     0  0
 18 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 18  1  0     0  0
 23 26  2  0     0  0
M  END
> <LM_ID>
LMPR0104040005

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2R,5R,8R,9S,10R)-2beta-hydroxy-cleroda-3,13-dien-16,15-olide-18-oic acid

> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Colensane and clerodane diterpenoids [PR010404]

> <SYNONYMS>


> <INCHI_KEY>
IVBXOAXVGAFCGB-DSPNZHBSSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-12-4-6-20(3)15(18(23)24)9-14(21)10-16(20)19(12,2)7-5-13-8-17(22)25-11-13/h8-9,12,14,16,21H,4-7,10-11H2,1-3H3,(H,23,24)/t12-,14-,16-,19+,20+/m1/s1

> <SMILES>
[C@]12([H])[C@@](C)(CC[C@@H](C)[C@]1(C)CCC1COC(=O)C=1)C(C(O)=O)=C[C@@H](O)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117847

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
342061

> <CITATION>
37579813

$$$$