LMPR0106080021
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    7.6587    8.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6587    7.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    6.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045    7.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045    8.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    9.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275    6.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505    7.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505    8.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275    9.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2733    9.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2733   10.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505   10.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275   10.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2869    8.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9135    9.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2869   10.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2869   11.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3640   12.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0090    6.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0818    6.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045    9.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2733    8.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2733   10.9211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505    9.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1528   10.7528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7972    6.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045    6.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275    8.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505   11.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4274    5.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1530   12.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0190   11.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8850   12.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7510   11.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6171   12.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7511   10.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3741   12.5826    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
  9 11  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
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  5 22  1  1  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
  9 25  1  1  0  0  0
 17 26  1  6  0  0  0
  2 27  1  1  0  0  0
  4 28  1  6  0  0  0
 10 29  1  6  0  0  0
 13 30  1  1  0  0  0
  7 31  1  6     0  0
 18 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 35 36  1  0     0  0
 35 37  1  0     0  0
 18 38  1  0     0  0
M  END
> <LM_ID>
LMPR0106080021

> <COMMON_NAME>
20(R)-Protopanaxatriol

> <SYSTEMATIC_NAME>
(20R)-Dammar-24-ene-3β,6α,12β,20-tetrol

> <FORMULA>
C30H52O4

> <MASS>
476.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Dammarane triterpenoids [PR010608]

> <SYNONYMS>


> <INCHI_KEY>
SHCBCKBYTHZQGZ-DLHMIPLTSA-N

> <INCHI>
InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1

> <SMILES>
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](O)(CC/C=C(\C)/C)C)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2([H])C(C)(C)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9847853

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
44586

> <CITATION>
22039120

$$$$