LMPR0106230003
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0     0  0            999 V2000
    7.6223    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6223    7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    7.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914    7.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709   10.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811   10.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914   10.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9983    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0257    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    9.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    9.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9605    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8503    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8503   10.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9605   10.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7398   10.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7398   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8503   12.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9605   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9605   10.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494    8.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8503   11.0601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6297   11.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6297   10.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6297   12.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709   11.3597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7398    8.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914    8.5549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4138    7.0678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  3 15  1  1  0  0  0
  3 16  1  6  0  0  0
  5 17  1  1  0  0  0
  9 18  1  1  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 22 27  1  6  0  0  0
 11 28  1  0  0  0  0
 21 29  1  1  0  0  0
  9 28  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
  2 32  1  6  0  0  0
 24 33  1  1  0  0  0
 15 34  1  0  0  0  0
 12 35  1  1  0  0  0
 20 36  2  0  0  0  0
 10 37  1  6     0  0
  4 38  1  6     0  0
M  END
> <LM_ID>
LMPR0106230003

> <COMMON_NAME>
16-Oxolycoclavanol

> <SYSTEMATIC_NAME>
3alpha,21beta,24-trihydroxy-14-serraten-16-one

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Serratane and onocerane triterpenoids [PR010623]

> <SYNONYMS>


> <INCHI_KEY>
QLFHDTVFRVKLCZ-ANGLHQKGSA-N

> <INCHI>
InChI=1S/C30H48O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,19,21-25,31,33-34H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1

> <SMILES>
C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(C)CC[C@@H](O)C(C)(C)[C@]5([H])C(=O)C=C4C[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10863674

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3252

> <CITATION>
-

$$$$