LMPR0106070001
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    5.2224   -7.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -7.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -8.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877   -9.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701   -8.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -7.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877   -6.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701   -5.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7220   -7.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3212   -6.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877   -7.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877   -8.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701   -7.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701   -6.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528   -7.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528   -6.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4873   -4.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6047   -4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2527   -4.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7220   -4.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3698   -4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7220   -5.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6047   -5.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -9.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -8.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5385   -9.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7293   -9.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -6.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528   -8.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8395   -4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528   -5.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1353   -4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2527   -5.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4739   -9.1055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1187   -5.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1216   -5.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3697   -3.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16  8  1  0  0  0  0
 15 13  1  0  0  0  0
 15  9  1  0  0  0  0
 11  7  1  0  0  0  0
 11  6  1  0  0  0  0
 13 11  1  0  0  0  0
 13  5  1  0  0  0  0
  6 25  1  0  0  0  0
  6  1  1  0  0  0  0
 10 22  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  4  5  1  0  0  0  0
 25 24  1  0  0  0  0
 25  4  2  0  0  0  0
  2  1  1  0  0  0  0
  3 24  1  0  0  0  0
  3  2  1  0  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 20 22  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  6  0  0  0
  6 28  1  6  0  0  0
 16 31  1  1  0  0  0
 20 30  1  6  0  0  0
 19 33  1  0  0  0  0
 32 19  1  0  0  0  0
 24 27  1  0  0  0  0
 24 26  1  0  0  0  0
 15 29  1  6  0  0  0
  3 34  1  1     0  0
 19 35  1  0     0  0
  7 36  1  6     0  0
 21 37  1  1     0  0
M  END
> <LM_ID>
LMPR0106070001

> <COMMON_NAME>
Mogrol

> <SYSTEMATIC_NAME>
10alpha-Cucurbit-5-ene-3beta,11alpha,24R,25-tetraol

> <FORMULA>
C30H52O4

> <MASS>
476.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cucurbitane triterpenoids [PR010607]

> <SYNONYMS>
(10alpha,24R)-9beta-methyl-19-norlanosta-5-ene-3beta,11alpha,24,25-tetrol

> <INCHI_KEY>
JLYBBRAAICDTIS-AYEHCKLZSA-N

> <INCHI>
InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1

> <SMILES>
C1C[C@H](O)C(C)(C)C2=CC[C@]3([H])[C@](C)([C@@]21[H])[C@H](O)C[C@]1(C)[C@@]([H])([C@H](C)CC[C@@H](O)C(O)(C)C)CC[C@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138974

> <ABBREVIATION>
-

> <CAYMAN_ID>
39253

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14525327

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
190515

> <CITATION>
24636058

$$$$