LMPR0104030009
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  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
    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
    7.7926    6.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.0606    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
  4 25  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 24  1  1  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 28  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
 27  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
 23 12  2  0  0  0  0
 25 14  1  0  0  0  0
 14 26  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
 27 21  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104030009

> <COMMON_NAME>
1,9-dideoxyforskolin

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

> <FORMULA>
C22H34O5

> <MASS>
378.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>
(3R,4aS,5S,6S,6aS,10aS,10bR)-5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one;(3R-(3alpha,4abeta,5beta,6beta,6aalpha,10abeta,10balpha))-5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one; 7beta-acetoxy-8,13-epoxy-6beta-hydroxylabd-14-en-11-one

> <INCHI_KEY>
ZKZMDXUDDJYAIB-SUCLLAFCSA-N

> <INCHI>
InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18-,20-,21+,22-/m0/s1

> <SMILES>
C1C([C@]2([C@]([C@@]3([H])C(=O)C[C@@](C)(O[C@]3(C)[C@H]([C@H]2O)OC(C)=O)C=C)(C)CC1)[H])(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
50295

> <ABBREVIATION>
-

> <CAYMAN_ID>
11664

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
107948

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41228

> <CITATION>
-

$$$$