LMPR0103180003
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    9.2484    8.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535    8.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3726    8.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5570    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    8.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7438    8.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3392    7.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5486    6.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652    9.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3174    8.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7480    9.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9315    7.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932    7.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9897    9.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9315    9.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    8.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2518    6.9235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5552    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    9.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    7.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3685    9.9492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7397    9.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0414    5.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5278    4.6288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0413    5.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  2  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
 10 14  1  6  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  6  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 16 19  1  0  0  0  0
  5 22  1  1  0  0  0
 11 23  1  6  0  0  0
  3  1  1  0  0  0  0
 18 24  1  0     0  0
 24 25  2  0     0  0
 24 26  1  0     0  0
M  END
> <LM_ID>
LMPR0103180003

> <COMMON_NAME>
15-acetyldeoxynivalenol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H22O7

> <MASS>
338.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Trichothecane sesquiterpenoids [PR010318]

> <SYNONYMS>


> <INCHI_KEY>
IDGRYIRJIFKTAN-HTJQZXIKSA-N

> <INCHI>
InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1

> <SMILES>
C1[C@]2(O1)[C@@]1([H])[C@@H](C[C@]2(C)[C@@]2(COC(C)=O)[C@H](O)C(C(C)=C[C@@]2([H])O1)=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
146194

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10382483

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5518

> <CITATION>
3840229

$$$$