LMPR0104030004
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0     0  0            999 V2000
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907   11.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   10.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926   10.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    9.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3 23  1  6  0  0  0
  4 26  1  1  0  0  0
  1  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6  4  1  0  0  0  0
  6 25  1  1  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 30  1  6  0  0  0
  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8 17  1  1  0  0  0
  9  4  1  0  0  0  0
 28  9  1  0  0  0  0
  9 18  1  1  0  0  0
 10  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  6  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 24 12  2  0  0  0  0
 26 14  1  0  0  0  0
 14 27  2  0  0  0  0
 14 15  1  0  0  0  0
 21 19  1  0  0  0  0
 19 20  2  0  0  0  0
 28 21  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104030004

> <COMMON_NAME>
forskolin

> <SYSTEMATIC_NAME>
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate

> <FORMULA>
C22H34O7

> <MASS>
410.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>
7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one; FORSKOLIN; colforsina; colforsine; colforsinum

> <INCHI_KEY>
OHCQJHSOBUTRHG-KGGHGJDLSA-N

> <INCHI>
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1

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

> <KEGG_ID>
C09076

> <HMDB_ID>
-

> <CHEBI_ID>
42471

> <ABBREVIATION>
-

> <CAYMAN_ID>
11018

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
47936

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41228

> <CITATION>
-

$$$$