LMPR0104040015
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    6.0606    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   10.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    9.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4907    9.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9516   10.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2104   11.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765   12.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686   13.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739   13.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4673   12.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774    6.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054    5.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  1  0  0  0
  3 12  1  0  0  0  0
  5 13  1  1  0  0  0
  4 14  1  6  0  0  0
 10 15  1  6  0  0  0
  9 16  1  6  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 14 23  2  0     0  0
 14 24  1  0     0  0
M  END
> <LM_ID>
LMPR0104040015

> <COMMON_NAME>
Maingayic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Colensane and clerodane diterpenoids [PR010404]

> <SYNONYMS>


> <INCHI_KEY>
AVVOXUZRTCRDLA-SIKIZQCASA-N

> <INCHI>
InChI=1S/C20H28O3/c1-14-7-11-20(18(21)22)15(2)5-4-6-17(20)19(14,3)10-8-16-9-12-23-13-16/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20-/m1/s1

> <SMILES>
C1C[C@]2([H])[C@@](C)(CCC3C=COC=3)[C@H](C)CC[C@@]2(C(O)=O)C(C)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12312684

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
536998

> <CITATION>
-

$$$$