LMPR0106050008
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.4769    8.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    7.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    6.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2420    6.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243    6.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3593    7.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2420    9.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243    9.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2420    8.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243    7.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    6.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3593    6.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3343    6.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8429    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9837    5.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3593    8.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7283    6.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0069   10.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0936   11.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8583   10.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760    9.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760   10.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8583   11.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0069    9.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0069    8.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750    8.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760    7.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792    7.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    7.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9673    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9934    6.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7276   10.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5967   11.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4661   10.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3351   11.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4663    9.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2044   10.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
  6 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  3  2  1  0  0  0  0
 12 13  1  6  0  0  0
  6 16  1  1  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
  3 17  1  1     0  0
 22 19  1  6  0  0  0
 24 18  1  1  0  0  0
 21 20  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 26 27  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 25 10  2  0  0  0  0
 24  8  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
  9 28  1  6     0  0
 27 29  1  1     0  0
 27 30  1  6     0  0
  5 31  1  6     0  0
 23 32  1  0     0  0
 32 33  1  0     0  0
 33 34  2  0     0  0
 34 35  1  0     0  0
 34 36  1  0     0  0
 35 37  1  0     0  0
M  END
> <LM_ID>
LMPR0106050008

> <COMMON_NAME>
Ganocasurarin B

> <SYSTEMATIC_NAME>
14-demethyl-lanosta-8(14),24-dien-15alpha-methyl-3beta,7alpha,9alpha,15beta,26-pentaol

> <FORMULA>
C30H50O5

> <MASS>
490.37

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lanostane triterpenoids [PR010605]

> <SYNONYMS>


> <INCHI_KEY>
GQTPJOWTKSDIOQ-RYENBMNQSA-N

> <INCHI>
InChI=1S/C30H50O5/c1-18(17-31)9-8-10-19(2)20-16-29(7,34)25-24-21(32)15-22-26(3,4)23(33)11-12-28(22,6)30(24,35)14-13-27(20,25)5/h9,19-23,31-35H,8,10-17H2,1-7H3/b18-9+/t19-,20-,21-,22+,23+,27-,28+,29-,30-/m1/s1

> <SMILES>
C1C[C@H](O)C(C)(C)[C@]2([H])C[C@@H](O)C3=C4[C@@]([C@](C[C@@]4(C)O)([C@@H](CC/C=C(\C)/CO)C)[H])(CC[C@]3(O)[C@]21C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156582629

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2057914

> <CITATION>
33107297

$$$$