LMPR0106230005
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    6.0607    9.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9556    7.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8505    8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8505    9.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9556    9.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454    7.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404    8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404    9.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454    9.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5353    9.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5353   10.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404   11.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454   10.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4389    6.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4722    6.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8505   10.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404    9.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    9.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3251    9.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3251   10.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302   11.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2200   11.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2200   12.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3251   12.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302   12.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5353   11.5489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302   10.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5137    8.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2331   11.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6836   10.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3251   11.3553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2200    9.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404   12.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1151   12.6900    0.0000 O   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  6  0  0  0
  3 16  1  1  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
 12 27  1  1  0  0  0
 22 28  1  6  0  0  0
 11 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 21 32  1  1  0  0  0
  9 29  1  0  0  0  0
 16 33  1  0  0  0  0
 20 34  2  0  0  0  0
 13 35  1  1  0  0  0
 24 36  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106230005

> <COMMON_NAME>
Japonicumin B

> <SYSTEMATIC_NAME>


> <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>
KPDBMXQLHBERQZ-NBIKVNKNSA-N

> <INCHI>
InChI=1S/C30H48O4/c1-26(2)23(34)9-13-30(6)24-18(14-20(33)25(26)30)16-27(3)12-8-21-28(4,17-31)10-7-11-29(21,5)22(27)15-19(24)32/h14,19,21-25,31-32,34H,7-13,15-17H2,1-6H3/t19-,21?,22?,23-,24-,25+,27+,28-,29+,30-/m1/s1

> <SMILES>
C1C[C@]2(C)C3C[C@@H](O)[C@]4([H])[C@@]5(C)CC[C@@H](O)C(C)(C)[C@]5([H])C(=O)C=C4C[C@]3(C)CCC2[C@](CO)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120392

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
672196

> <CITATION>
18663395

$$$$