Hmdb loader

Showing metabocard for Deoxynivalenol 3-glucoside (HMDB0039852)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:23:23 UTC
Update Date2022-03-07 02:56:22 UTC
HMDB IDHMDB0039852
Secondary Accession Numbers
  • HMDB39852
Metabolite Identification
Common NameDeoxynivalenol 3-glucoside
DescriptionDeoxynivalenol 3-glucoside belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. Deoxynivalenol 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863448
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039852 (Deoxynivalenol 3-glucoside)


  Mrv0541 02241218242D          

 32 36  0  0  0  0            999 V2000
   -3.5243    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    2.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101   -0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776    0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2580    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1548    0.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757    1.1715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589    0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499   -0.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4418    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    1.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2384    0.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281   -1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158   -2.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 20  1  0  0  0  0
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  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
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 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039852 (Deoxynivalenol 3-glucoside)

HMDB0039852
     RDKit          3D
Deoxynivalenol 3-glucoside
 62 66  0  0  0  0  0  0  0  0999 V2000
   -6.1488    2.2236   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8934    1.5018    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    2.0176   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    1.1922    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    1.7833   -0.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    1.0927    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    0.3904   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8258    0.1363    0.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    0.6990   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324   -0.3331   -1.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -1.0687   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987   -2.3737   -0.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6623   -2.1802   -1.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661   -0.2720    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166   -1.0222    1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8930    1.1120    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0299    1.9271    0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6857    1.6722   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477    2.3776    0.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -0.8930   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770   -0.9344    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -2.3387    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562   -0.0458    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -0.3161    2.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2597   -0.7754    2.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -0.2234   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888   -0.2268   -1.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7946    0.4584   -2.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8572   -0.8424    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425   -1.8976   -0.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9462    0.1397    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9318   -0.2397    1.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8037    1.6308   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9036    3.1769   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7066    2.5200    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    3.0231   -0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5393    1.1013    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778    1.8168    1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.9931   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.2057   -1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -1.3322    0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753   -2.9968   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -2.9815   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714   -1.4251   -2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576   -0.2606   -0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1461   -1.0727    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770    1.1062    1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716    1.5895   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224    2.4486   -0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    3.2010    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -1.7498   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679   -1.0690   -1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2469   -2.8575   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109   -2.4933    1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -2.8603    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -1.1585    3.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567    0.4828    3.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.3813   -2.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702   -1.2509   -2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5975   -0.0895   -2.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5563   -1.2041    1.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6531   -2.6162    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  1  0
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 21 23  1  0
 23 24  1  0
 24 25  1  0
 21 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 31  2  1  0
 26  4  1  0
 23  6  1  0
 18  9  1  0
 25 23  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
  7 39  1  0
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 11 41  1  0
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 24 56  1  0
 24 57  1  0
 27 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
M  END
Download

3D SDF for HMDB0039852 (Deoxynivalenol 3-glucoside)


  Mrv0541 02241218242D          

 32 36  0  0  0  0            999 V2000
   -3.5243    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    2.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101   -0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776    0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2580    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1548    0.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757    1.1715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589    0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499   -0.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4418    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    1.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2384    0.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281   -1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158   -2.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039852

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3

> <INCHI_KEY>
PUMXWMGECQIOGB-UHFFFAOYSA-N

> <FORMULA>
C21H30O11

> <MOLECULAR_WEIGHT>
458.4563

> <EXACT_MASS>
458.178811802

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
44.71133052736518

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one

> <ALOGPS_LOGP>
-1.62

> <JCHEM_LOGP>
-2.7395325359999987

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.72935195536866

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.100975958185202

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8416551967185333

> <JCHEM_POLAR_SURFACE_AREA>
178.67

> <JCHEM_REFRACTIVITY>
104.03389999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039852 (Deoxynivalenol 3-glucoside)

HMDB0039852
     RDKit          3D
Deoxynivalenol 3-glucoside
 62 66  0  0  0  0  0  0  0  0999 V2000
   -6.1488    2.2236   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8934    1.5018    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    2.0176   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    1.1922    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    1.7833   -0.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    1.0927    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    0.3904   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8258    0.1363    0.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    0.6990   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324   -0.3331   -1.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -1.0687   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987   -2.3737   -0.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6623   -2.1802   -1.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661   -0.2720    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166   -1.0222    1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8930    1.1120    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0299    1.9271    0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6857    1.6722   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477    2.3776    0.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -0.8930   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770   -0.9344    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -2.3387    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562   -0.0458    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -0.3161    2.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2597   -0.7754    2.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -0.2234   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888   -0.2268   -1.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7946    0.4584   -2.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8572   -0.8424    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425   -1.8976   -0.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9462    0.1397    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9318   -0.2397    1.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8037    1.6308   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9036    3.1769   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7066    2.5200    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    3.0231   -0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5393    1.1013    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778    1.8168    1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.9931   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.2057   -1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592   -1.3322    0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753   -2.9968   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -2.9815   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714   -1.4251   -2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576   -0.2606   -0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1461   -1.0727    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770    1.1062    1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716    1.5895   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224    2.4486   -0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    3.2010    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -1.7498   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679   -1.0690   -1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2469   -2.8575   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109   -2.4933    1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -2.8603    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -1.1585    3.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567    0.4828    3.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.3813   -2.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702   -1.2509   -2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5975   -0.0895   -2.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5563   -1.2041    1.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6531   -2.6162    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 21 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 31  2  1  0
 26  4  1  0
 23  6  1  0
 18  9  1  0
 25 23  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 22 53  1  0
 22 54  1  0
 22 55  1  0
 24 56  1  0
 24 57  1  0
 27 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
M  END
Download

PDB for HMDB0039852 (Deoxynivalenol 3-glucoside)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.579   3.284   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.579   1.743   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.245   0.972   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.915   1.743   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.915   3.284   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.245   4.051   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.583   0.972   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.252   1.743   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.252   3.284   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.583   4.051   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -7.912   4.051   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -7.912   0.972   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -5.245  -0.569   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.915   0.202   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.066  -0.517   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.265   1.794   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.482   0.407   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.289   1.743   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.755   2.187   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.583  -0.569   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.145  -1.134   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.843   1.098   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.453  -0.394   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.550  -1.478   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.034  -1.072   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.425   0.415   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.330   1.496   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.726   2.986   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       7.912   0.821   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       7.128  -2.156   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.159  -2.968   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.256  -4.051   0.000  0.00  0.00           O+0
CONECT    1    2    6   11                                                  
CONECT    2    1    3   12                                                  
CONECT    3    2    4   13                                                  
CONECT    4    3    5    7   14                                             
CONECT    5    4    6   10                                                  
CONECT    6    1    5                                                       
CONECT    7    4    8   15   20                                             
CONECT    8    7    9   17   18                                             
CONECT    9    8   10   16                                                  
CONECT   10    5    9                                                       
CONECT   11    1                                                            
CONECT   12    2                                                            
CONECT   13    3                                                            
CONECT   14    4   21                                                       
CONECT   15    7   16                                                       
CONECT   16    9   15   19                                                  
CONECT   17    8   18                                                       
CONECT   18    8   17                                                       
CONECT   19   16   22                                                       
CONECT   20    7                                                            
CONECT   21   14                                                            
CONECT   22   19   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   31                                                  
CONECT   25   24   26   30                                                  
CONECT   26   25   27   29                                                  
CONECT   27   22   26   28                                                  
CONECT   28   27                                                            
CONECT   29   26                                                            
CONECT   30   25                                                            
CONECT   31   24   32                                                       
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   72    0
END
Download

3D PDB for HMDB0039852 (Deoxynivalenol 3-glucoside)

COMPND    HMDB0039852
HETATM    1  C1  UNL     1      -6.149   2.224  -0.235  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.893   1.502   0.088  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.683   2.018  -0.080  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.532   1.192   0.281  1.00  0.00           C  
HETATM    5  O1  UNL     1      -1.312   1.783  -0.028  1.00  0.00           O  
HETATM    6  C5  UNL     1      -0.307   1.093   0.632  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.532   0.390  -0.410  1.00  0.00           C  
HETATM    8  O2  UNL     1       1.826   0.136   0.062  1.00  0.00           O  
HETATM    9  C7  UNL     1       2.799   0.699  -0.770  1.00  0.00           C  
HETATM   10  O3  UNL     1       3.532  -0.333  -1.396  1.00  0.00           O  
HETATM   11  C8  UNL     1       4.118  -1.069  -0.395  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.699  -2.374  -0.926  1.00  0.00           C  
HETATM   13  O4  UNL     1       5.662  -2.180  -1.884  1.00  0.00           O  
HETATM   14  C10 UNL     1       5.266  -0.272   0.164  1.00  0.00           C  
HETATM   15  O5  UNL     1       5.817  -1.022   1.208  1.00  0.00           O  
HETATM   16  C11 UNL     1       4.893   1.112   0.570  1.00  0.00           C  
HETATM   17  O6  UNL     1       6.030   1.927   0.352  1.00  0.00           O  
HETATM   18  C12 UNL     1       3.686   1.672  -0.070  1.00  0.00           C  
HETATM   19  O7  UNL     1       2.948   2.378   0.882  1.00  0.00           O  
HETATM   20  C13 UNL     1      -0.222  -0.893  -0.673  1.00  0.00           C  
HETATM   21  C14 UNL     1      -1.377  -0.934   0.281  1.00  0.00           C  
HETATM   22  C15 UNL     1      -1.614  -2.339   0.701  1.00  0.00           C  
HETATM   23  C16 UNL     1      -0.856  -0.046   1.404  1.00  0.00           C  
HETATM   24  C17 UNL     1      -0.908  -0.316   2.729  1.00  0.00           C  
HETATM   25  O8  UNL     1       0.260  -0.775   2.063  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.621  -0.223  -0.238  1.00  0.00           C  
HETATM   27  C19 UNL     1      -2.689  -0.227  -1.748  1.00  0.00           C  
HETATM   28  O9  UNL     1      -3.795   0.458  -2.191  1.00  0.00           O  
HETATM   29  C20 UNL     1      -3.857  -0.842   0.378  1.00  0.00           C  
HETATM   30  O10 UNL     1      -4.342  -1.898  -0.392  1.00  0.00           O  
HETATM   31  C21 UNL     1      -4.946   0.140   0.617  1.00  0.00           C  
HETATM   32  O11 UNL     1      -5.932  -0.240   1.297  1.00  0.00           O  
HETATM   33  H1  UNL     1      -6.804   1.631  -0.913  1.00  0.00           H  
HETATM   34  H2  UNL     1      -5.904   3.177  -0.747  1.00  0.00           H  
HETATM   35  H3  UNL     1      -6.707   2.520   0.699  1.00  0.00           H  
HETATM   36  H4  UNL     1      -3.627   3.023  -0.477  1.00  0.00           H  
HETATM   37  H5  UNL     1      -2.539   1.101   1.408  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.278   1.817   1.228  1.00  0.00           H  
HETATM   39  H7  UNL     1       0.570   0.993  -1.357  1.00  0.00           H  
HETATM   40  H8  UNL     1       2.254   1.206  -1.599  1.00  0.00           H  
HETATM   41  H9  UNL     1       3.359  -1.332   0.354  1.00  0.00           H  
HETATM   42  H10 UNL     1       3.875  -2.997  -1.371  1.00  0.00           H  
HETATM   43  H11 UNL     1       5.118  -2.982  -0.100  1.00  0.00           H  
HETATM   44  H12 UNL     1       5.471  -1.425  -2.474  1.00  0.00           H  
HETATM   45  H13 UNL     1       6.058  -0.261  -0.642  1.00  0.00           H  
HETATM   46  H14 UNL     1       5.146  -1.073   1.953  1.00  0.00           H  
HETATM   47  H15 UNL     1       4.777   1.106   1.693  1.00  0.00           H  
HETATM   48  H16 UNL     1       6.472   1.589  -0.491  1.00  0.00           H  
HETATM   49  H17 UNL     1       4.022   2.449  -0.819  1.00  0.00           H  
HETATM   50  H18 UNL     1       2.546   3.201   0.534  1.00  0.00           H  
HETATM   51  H19 UNL     1       0.474  -1.750  -0.406  1.00  0.00           H  
HETATM   52  H20 UNL     1      -0.468  -1.069  -1.725  1.00  0.00           H  
HETATM   53  H21 UNL     1      -2.247  -2.857  -0.026  1.00  0.00           H  
HETATM   54  H22 UNL     1      -2.011  -2.493   1.701  1.00  0.00           H  
HETATM   55  H23 UNL     1      -0.614  -2.860   0.683  1.00  0.00           H  
HETATM   56  H24 UNL     1      -1.494  -1.158   3.148  1.00  0.00           H  
HETATM   57  H25 UNL     1      -0.757   0.483   3.509  1.00  0.00           H  
HETATM   58  H26 UNL     1      -1.803   0.381  -2.109  1.00  0.00           H  
HETATM   59  H27 UNL     1      -2.670  -1.251  -2.151  1.00  0.00           H  
HETATM   60  H28 UNL     1      -4.597  -0.089  -2.324  1.00  0.00           H  
HETATM   61  H29 UNL     1      -3.556  -1.204   1.398  1.00  0.00           H  
HETATM   62  H30 UNL     1      -4.653  -2.616   0.218  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3    3   31
CONECT    3    4   36
CONECT    4    5   26   37
CONECT    5    6
CONECT    6    7   23   38
CONECT    7    8   20   39
CONECT    8    9
CONECT    9   10   18   40
CONECT   10   11
CONECT   11   12   14   41
CONECT   12   13   42   43
CONECT   13   44
CONECT   14   15   16   45
CONECT   15   46
CONECT   16   17   18   47
CONECT   17   48
CONECT   18   19   49
CONECT   19   50
CONECT   20   21   51   52
CONECT   21   22   23   26
CONECT   22   53   54   55
CONECT   23   24   25
CONECT   24   25   56   57
CONECT   26   27   29
CONECT   27   28   58   59
CONECT   28   60
CONECT   29   30   31   61
CONECT   30   62
CONECT   31   32   32
END
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SMILES for HMDB0039852 (Deoxynivalenol 3-glucoside)

CC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O
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INCHI for HMDB0039852 (Deoxynivalenol 3-glucoside)

InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC21H30O11
Average Molecular Weight458.4563
Monoisotopic Molecular Weight458.178811802
IUPAC Name3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one
Traditional Name3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one
CAS Registry Number131180-21-7
SMILES
CC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3
InChI KeyPUMXWMGECQIOGB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentTrichothecenes
Alternative Parents
Substituents
  • Trichothecene skeleton
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Cyclohexenone
  • Oxepane
  • Monosaccharide
  • Oxane
  • Ketone
  • Cyclic ketone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Ether
  • Oxirane
  • Dialkyl ether
  • Polyol
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Primary alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility25.3 g/LALOGPS
logP-1.6ALOGPS
logP-2.7ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)12.1ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area178.67 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity104.03 m³·mol⁻¹ChemAxon
Polarizability44.71 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+203.4331661259
DarkChem[M-H]-196.94331661259
DeepCCS[M-2H]-235.68630932474
DeepCCS[M+Na]+210.91430932474
AllCCS[M+H]+205.432859911
AllCCS[M+H-H2O]+203.432859911
AllCCS[M+NH4]+207.232859911
AllCCS[M+Na]+207.732859911
AllCCS[M-H]-204.632859911
AllCCS[M+Na-2H]-205.032859911
AllCCS[M+HCOO]-205.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Deoxynivalenol 3-glucosideCC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O3628.5Standard polar33892256
Deoxynivalenol 3-glucosideCC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O3528.4Standard non polar33892256
Deoxynivalenol 3-glucosideCC1=CC2OC3C(CC(C)(C33CO3)C2(CO)C(O)C1=O)OC1OC(CO)C(O)C(O)C1O3742.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Deoxynivalenol 3-glucoside,1TMS,isomer #1CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3790.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TMS,isomer #2CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3839.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3845.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TMS,isomer #4CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3847.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TMS,isomer #5CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3849.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3844.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TMS,isomer #7CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3663.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3738.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #10CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3761.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #11CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3568.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #12CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3813.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #13CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3816.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #14CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3803.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #15CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3631.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #16CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3801.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #17CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3794.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #18CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3646.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #19CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3815.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #2CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3731.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #20CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3632.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #21CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3623.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #3CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3730.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #4CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3719.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #5CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3739.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3562.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #7CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3775.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #8CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3776.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TMS,isomer #9CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3768.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3653.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #10CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3653.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #11CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3626.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #12CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3487.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #13CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3639.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #14CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3498.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #15CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3483.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #16CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3690.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #17CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3673.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #18CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3677.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #19CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3487.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #2CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3632.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #20CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3686.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #21CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3688.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #22CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3512.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #23CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3695.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #24CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3495.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #25CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3497.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #26CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O3740.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #27CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3733.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #28CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3581.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #29CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3737.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3636.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #30CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3561.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #31CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3565.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #32CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3760.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #33CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3565.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #34CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3566.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #35CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3565.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #4CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3640.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #5CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3494.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3646.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #7CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3638.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #8CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3661.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TMS,isomer #9CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3516.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3543.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #10CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3399.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #11CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3563.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #12CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3518.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #13CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3413.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #14CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3534.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #15CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3427.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #16CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3415.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #17CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3521.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #18CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3412.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #19CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3379.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #2CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3547.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #20CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3395.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #21CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3585.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #22CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3582.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #23CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3421.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #24CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3582.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #25CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3384.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #26CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3399.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #27CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3607.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #28CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3398.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #29CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3407.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3542.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #30CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3402.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #31CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O3660.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #32CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3485.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #33CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3489.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #34CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3484.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #35CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3497.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #4CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3437.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #5CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3537.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #6CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3479.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #7CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3386.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #8CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3515.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,4TMS,isomer #9CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3418.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)C1=O3460.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #10CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3298.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #11CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3417.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #12CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3301.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #13CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3287.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #14CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3300.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #15CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3286.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #16CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)C1=O3485.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #17CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3299.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #18CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3304.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #19CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3295.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #2CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3409.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #20CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3293.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #21CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C3399.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3306.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #4CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3399.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #5CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3309.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #6CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3326.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #7CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3395.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #8CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3304.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,5TMS,isomer #9CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3291.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=O3321.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #2CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O)=C1O[Si](C)(C)C3233.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3239.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #4CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3238.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #5CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3227.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3226.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,6TMS,isomer #7CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C)=C1O[Si](C)(C)C3250.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #1CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4000.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #2CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4040.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4061.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #4CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4078.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #5CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4081.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4063.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,1TBDMS,isomer #7CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C3943.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4156.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #10CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4178.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #11CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4058.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #12CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4220.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #13CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4237.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #14CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4211.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #15CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4086.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #16CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4230.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #17CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4223.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #18CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4117.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #19CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4236.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #2CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4170.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #20CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4105.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #21CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4089.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #3CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4172.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #4CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4138.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #5CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O4163.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)=C1O[Si](C)(C)C(C)(C)C4031.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #7CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4182.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #8CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4202.1Semi standard non polar33892256
Deoxynivalenol 3-glucoside,2TBDMS,isomer #9CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4203.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #1CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4288.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #10CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4287.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #11CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O4263.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #12CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)=C1O[Si](C)(C)C(C)(C)C4127.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #13CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O4249.9Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #14CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)=C1O[Si](C)(C)C(C)(C)C4111.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #15CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4111.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #16CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4303.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #17CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4299.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #18CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4279.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #19CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4109.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #2CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4293.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #20CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4299.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #21CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4294.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #22CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4145.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #23CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)C1=O4306.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #24CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4125.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #25CC1=CC2OC3C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4120.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #26CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=O4363.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #27CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4348.2Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #28CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4197.4Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #29CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4358.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #3CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4265.0Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #30CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4198.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #31CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4175.7Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #32CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)C1=O4359.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #33CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4210.3Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #34CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4204.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #35CC1=CC2OC3C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO)C(O)=C1O[Si](C)(C)C(C)(C)C4217.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #4CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O4268.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #5CC1=CC2OC3C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)=C1O[Si](C)(C)C(C)(C)C4121.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #6CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4283.8Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #7CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)C1=O4282.6Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #8CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O4285.5Semi standard non polar33892256
Deoxynivalenol 3-glucoside,3TBDMS,isomer #9CC1=CC2OC3C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)CC(C)(C34CO4)C2(CO[Si](C)(C)C(C)(C)C)C(O)=C1O[Si](C)(C)C(C)(C)C4149.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-004l-5545900000-207671e626c3fcb789642017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (3 TMS) - 70eV, Positivesplash10-0a4i-3313419000-b06ffeada14145a8dd042017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_3_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_3_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_3_15) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_8) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_14) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_4_20) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_5_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_5_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_5_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_5_7) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_5_9) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Deoxynivalenol 3-glucoside GC-MS (TMS_5_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 10V, Positive-QTOFsplash10-054p-0090700000-4fbee4f20a788e07f1562016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 20V, Positive-QTOFsplash10-004j-0490100000-46c5961979105f63ccad2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 40V, Positive-QTOFsplash10-004i-2490000000-5128cca108841dcfb7202016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 10V, Negative-QTOFsplash10-0a6s-1241900000-02da739edc40ea83eae32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 20V, Negative-QTOFsplash10-004j-0291300000-6fa8cca8df45bfe711582016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 40V, Negative-QTOFsplash10-000f-1910000000-4076db04964962a408b02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 10V, Negative-QTOFsplash10-0a4i-0000900000-b8b1226eedf576d7e7882021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 20V, Negative-QTOFsplash10-0a4i-2013900000-98bc29d1130e17cc4b442021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 40V, Negative-QTOFsplash10-0a4m-9015200000-04323ff91bbbe5c4ed8c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 10V, Positive-QTOFsplash10-0a4i-0010900000-daa7ed9e8069fda4e1ff2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 20V, Positive-QTOFsplash10-07fu-0032900000-49dd7836c9aa0a7955412021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Deoxynivalenol 3-glucoside 40V, Positive-QTOFsplash10-052r-3119200000-72186a0e0aeb116731c02021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB019508
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14806531
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.