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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:26:23 UTC

Update Date

2021-09-26 22:57:08 UTC

HMDB ID

HMDB0247433

Secondary Accession Numbers

None

Metabolite Identification

Common Name

8-Epiloganic acid

Description

Loganic acid (Not validated) belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. Based on a literature review very few articles have been published on Loganic acid (Not validated). This compound has been identified in human blood as reported by (PMID: 31557052 ). 8-epiloganic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 8-Epiloganic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv1533004151519422D          

 26 28  0  0  0  0            999 V2000
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    2.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    3.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    3.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    2.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -2.7604    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  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 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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END

HMDB0254151
     RDKit          3D
Loganic acid
 50 52  0  0  0  0  0  0  0  0999 V2000
   -1.2611    0.0336   -1.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223   -0.7627   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -0.3890   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3849   -1.5006   -1.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581    0.2855   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.6081    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    0.6035    2.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548    0.9553    2.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    1.2885    2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948    0.9548    4.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573    0.2559    2.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -0.0936    2.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -0.2493    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661   -1.1435    0.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -0.6024   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456   -1.1271   -1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.7168   -1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273    0.6794   -2.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661    1.1678   -3.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -0.5843   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287    0.1068   -1.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787    0.0823    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9749    0.0364    1.1593 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -0.6982    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216   -0.1259    2.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -0.5988    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    0.7733   -1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -0.6675   -2.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604    0.5209   -2.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561   -1.8485   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6618    0.2557   -2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047   -1.8204   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5374    1.2567   -0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7511   -0.3488    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.5327    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2016    1.8271    4.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987    0.2341    3.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    0.7495    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714    0.4873   -0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -1.3321   -2.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.6784   -3.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.3377   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192    2.1614   -3.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254   -1.6326   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8555    0.3743   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.1324    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -0.1056    2.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703   -1.7423    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -0.8140    2.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3074   -1.4756    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13 26  1  0
 26  2  1  0
 26  6  1  0
 24 15  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 26 50  1  0
M  END

  Mrv1533004151519422D          

 26 28  0  0  0  0            999 V2000
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    2.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    3.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    3.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    2.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -2.7604    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  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 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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247433

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1C(O)CC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)

> <INCHI_KEY>
JNNGEAWILNVFFD-UHFFFAOYSA-N

> <FORMULA>
C16H24O10

> <MOLECULAR_WEIGHT>
376.358

> <EXACT_MASS>
376.136946973

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
36.48393002193712

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

> <ALOGPS_LOGP>
-2.01

> <JCHEM_LOGP>
-2.216372853666667

> <ALOGPS_LOGS>
-0.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.206193523365306

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.257309327635798

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8340462513225235

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
82.7053

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.12e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0254151
     RDKit          3D
Loganic acid
 50 52  0  0  0  0  0  0  0  0999 V2000
   -1.2611    0.0336   -1.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223   -0.7627   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -0.3890   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3849   -1.5006   -1.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581    0.2855   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.6081    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    0.6035    2.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548    0.9553    2.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    1.2885    2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948    0.9548    4.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573    0.2559    2.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -0.0936    2.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -0.2493    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661   -1.1435    0.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -0.6024   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456   -1.1271   -1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.7168   -1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273    0.6794   -2.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661    1.1678   -3.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -0.5843   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287    0.1068   -1.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787    0.0823    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9749    0.0364    1.1593 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -0.6982    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216   -0.1259    2.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -0.5988    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    0.7733   -1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -0.6675   -2.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604    0.5209   -2.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561   -1.8485   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6618    0.2557   -2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047   -1.8204   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5374    1.2567   -0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7511   -0.3488    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.5327    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2016    1.8271    4.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987    0.2341    3.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    0.7495    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714    0.4873   -0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -1.3321   -2.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.6784   -3.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.3377   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192    2.1614   -3.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254   -1.6326   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8555    0.3743   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.1324    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -0.1056    2.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703   -1.7423    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -0.8140    2.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3074   -1.4756    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13 26  1  0
 26  2  1  0
 26  6  1  0
 24 15  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 26 50  1  0
M  END

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  C   UNK     0      -0.744   1.408   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.268  -0.057   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.713  -1.303   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.268  -2.549   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.864   2.547   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.864   4.087   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.198   4.857   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.198   6.397   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.531   7.167   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.531   4.087   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.865   4.857   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.531   2.547   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.865   1.777   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.198   1.777   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.198   0.237   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       3.864  -0.533   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.530  -4.383   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.864  -5.153   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.197  -5.153   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   23                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9   21                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   10   20                                                  
CONECT   20   19                                                            
CONECT   21    8   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22    6   24                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    HMDB0247433
HETATM    1  C1  UNL     1      -2.305  -2.215  -0.785  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.873  -1.166   0.202  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.752  -1.109   1.415  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.171  -1.663   2.547  1.00  0.00           O  
HETATM    5  C4  UNL     1      -3.052   0.379   1.605  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.132   0.826   0.149  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.161   2.292   0.013  1.00  0.00           C  
HETATM    8  C7  UNL     1      -4.433   2.946  -0.223  1.00  0.00           C  
HETATM    9  O2  UNL     1      -4.463   4.198  -0.340  1.00  0.00           O  
HETATM   10  O3  UNL     1      -5.631   2.256  -0.327  1.00  0.00           O  
HETATM   11  C8  UNL     1      -2.049   2.966   0.106  1.00  0.00           C  
HETATM   12  O4  UNL     1      -0.864   2.319   0.329  1.00  0.00           O  
HETATM   13  C9  UNL     1      -0.627   0.972   0.031  1.00  0.00           C  
HETATM   14  O5  UNL     1       0.380   0.929  -0.930  1.00  0.00           O  
HETATM   15  C10 UNL     1       1.474   0.299  -0.401  1.00  0.00           C  
HETATM   16  O6  UNL     1       2.614   1.111  -0.355  1.00  0.00           O  
HETATM   17  C11 UNL     1       3.514   0.491   0.507  1.00  0.00           C  
HETATM   18  C12 UNL     1       4.646   1.429   0.828  1.00  0.00           C  
HETATM   19  O7  UNL     1       5.364   1.840  -0.262  1.00  0.00           O  
HETATM   20  C13 UNL     1       4.002  -0.836  -0.018  1.00  0.00           C  
HETATM   21  O8  UNL     1       4.726  -1.438   1.028  1.00  0.00           O  
HETATM   22  C14 UNL     1       2.818  -1.722  -0.291  1.00  0.00           C  
HETATM   23  O9  UNL     1       3.190  -2.933  -0.844  1.00  0.00           O  
HETATM   24  C15 UNL     1       1.885  -0.934  -1.215  1.00  0.00           C  
HETATM   25  O10 UNL     1       0.805  -1.675  -1.621  1.00  0.00           O  
HETATM   26  C16 UNL     1      -1.861   0.221  -0.409  1.00  0.00           C  
HETATM   27  H1  UNL     1      -3.414  -2.332  -0.669  1.00  0.00           H  
HETATM   28  H2  UNL     1      -2.014  -1.940  -1.815  1.00  0.00           H  
HETATM   29  H3  UNL     1      -1.880  -3.211  -0.481  1.00  0.00           H  
HETATM   30  H4  UNL     1      -0.836  -1.400   0.569  1.00  0.00           H  
HETATM   31  H5  UNL     1      -3.729  -1.612   1.196  1.00  0.00           H  
HETATM   32  H6  UNL     1      -2.402  -2.641   2.529  1.00  0.00           H  
HETATM   33  H7  UNL     1      -4.011   0.531   2.130  1.00  0.00           H  
HETATM   34  H8  UNL     1      -2.194   0.868   2.067  1.00  0.00           H  
HETATM   35  H9  UNL     1      -3.991   0.328  -0.305  1.00  0.00           H  
HETATM   36  H10 UNL     1      -6.424   2.658  -0.812  1.00  0.00           H  
HETATM   37  H11 UNL     1      -2.053   4.039   0.009  1.00  0.00           H  
HETATM   38  H12 UNL     1      -0.283   0.486   0.973  1.00  0.00           H  
HETATM   39  H13 UNL     1       1.292  -0.020   0.656  1.00  0.00           H  
HETATM   40  H14 UNL     1       2.971   0.291   1.456  1.00  0.00           H  
HETATM   41  H15 UNL     1       4.194   2.317   1.343  1.00  0.00           H  
HETATM   42  H16 UNL     1       5.341   0.980   1.566  1.00  0.00           H  
HETATM   43  H17 UNL     1       5.415   1.175  -0.994  1.00  0.00           H  
HETATM   44  H18 UNL     1       4.592  -0.765  -0.932  1.00  0.00           H  
HETATM   45  H19 UNL     1       5.669  -1.103   1.039  1.00  0.00           H  
HETATM   46  H20 UNL     1       2.212  -1.894   0.644  1.00  0.00           H  
HETATM   47  H21 UNL     1       3.043  -3.670  -0.178  1.00  0.00           H  
HETATM   48  H22 UNL     1       2.493  -0.533  -2.079  1.00  0.00           H  
HETATM   49  H23 UNL     1       0.826  -2.536  -1.149  1.00  0.00           H  
HETATM   50  H24 UNL     1      -1.861   0.195  -1.513  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3   26   30
CONECT    3    4    5   31
CONECT    4   32
CONECT    5    6   33   34
CONECT    6    7   26   35
CONECT    7    8   11   11
CONECT    8    9    9   10
CONECT   10   36
CONECT   11   12   37
CONECT   12   13
CONECT   13   14   26   38
CONECT   14   15
CONECT   15   16   24   39
CONECT   16   17
CONECT   17   18   20   40
CONECT   18   19   41   42
CONECT   19   43
CONECT   20   21   22   44
CONECT   21   45
CONECT   22   23   24   46
CONECT   23   47
CONECT   24   25   48
CONECT   25   49
CONECT   26   50
END

HMDB0254151
     RDKit          3D
Loganic acid
 50 52  0  0  0  0  0  0  0  0999 V2000
   -1.2611    0.0336   -1.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223   -0.7627   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -0.3890   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3849   -1.5006   -1.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581    0.2855   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.6081    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    0.6035    2.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548    0.9553    2.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    1.2885    2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948    0.9548    4.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573    0.2559    2.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -0.0936    2.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -0.2493    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661   -1.1435    0.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -0.6024   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456   -1.1271   -1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.7168   -1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273    0.6794   -2.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661    1.1678   -3.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -0.5843   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287    0.1068   -1.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787    0.0823    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9749    0.0364    1.1593 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -0.6982    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216   -0.1259    2.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -0.5988    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    0.7733   -1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -0.6675   -2.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604    0.5209   -2.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561   -1.8485   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6618    0.2557   -2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047   -1.8204   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5374    1.2567   -0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7511   -0.3488    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.5327    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2016    1.8271    4.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987    0.2341    3.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    0.7495    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714    0.4873   -0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -1.3321   -2.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.6784   -3.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.3377   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192    2.1614   -3.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254   -1.6326   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8555    0.3743   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.1324    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -0.1056    2.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703   -1.7423    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -0.8140    2.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3074   -1.4756    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13 26  1  0
 26  2  1  0
 26  6  1  0
 24 15  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 26 50  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Loganate (not validated)	Generator
6-Hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4-carboxylate	Generator, HMDB
8-Epiloganate	Generator

Chemical Formula

C₁₆H₂₄O₁₀

Average Molecular Weight

376.358

Monoisotopic Molecular Weight

376.136946973

IUPAC Name

6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Traditional Name

6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC1C(O)CC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O

InChI Identifier

InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)

InChI Key

JNNGEAWILNVFFD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Iridoid O-glycosides

Alternative Parents

Substituents

Iridoid o-glycoside
Hexose monosaccharide
Glycosyl compound
Iridoid-skeleton
O-glycosyl compound
Bicyclic monoterpenoid
Monoterpenoid
Monosaccharide
Oxane
Cyclic alcohol
Vinylogous ester
Secondary alcohol
Polyol
Acetal
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Primary alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (HMDB: HMDB0254151)

Food

Vegetable

Gentiana lutea (FooDB: FOOD00894)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2	ALOGPS
logP	-2.2	ChemAxon
logS	-0.96	ALOGPS
pKa (Strongest Acidic)	4.26	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	82.71 m³·mol⁻¹	ChemAxon
Polarizability	36.48 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	182.53	30932474
DeepCCS	[M-H]-	180.172	30932474
DeepCCS	[M-2H]-	213.589	30932474
DeepCCS	[M+Na]+	188.941	30932474
AllCCS	[M+H]+	186.2	32859911
AllCCS	[M+H-H2O]+	183.6	32859911
AllCCS	[M+NH4]+	188.6	32859911
AllCCS	[M+Na]+	189.3	32859911
AllCCS	[M-H]-	184.7	32859911
AllCCS	[M+Na-2H]-	184.5	32859911
AllCCS	[M+HCOO]-	184.4	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
8-Epiloganic acid,1TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3212.9	Semi standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21	2930.0	Standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21	5116.2	Standard polar	33892256
8-Epiloganic acid,1TMS,isomer #2	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3219.2	Semi standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #2	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	2961.4	Standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #2	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	5255.3	Standard polar	33892256
8-Epiloganic acid,1TMS,isomer #3	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	3213.3	Semi standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #3	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	2903.0	Standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #3	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	5149.6	Standard polar	33892256
8-Epiloganic acid,1TMS,isomer #4	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3205.9	Semi standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #4	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	2912.7	Standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #4	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	5150.5	Standard polar	33892256
8-Epiloganic acid,1TMS,isomer #5	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	3215.5	Semi standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #5	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	2908.8	Standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #5	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	5174.3	Standard polar	33892256
8-Epiloganic acid,1TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3179.4	Semi standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	2934.6	Standard non polar	33892256
8-Epiloganic acid,1TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	5067.4	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3149.4	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	2999.8	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	4491.7	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #10	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	3129.5	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #10	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	2995.1	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #10	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	4556.4	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #11	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3192.1	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #11	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	2996.1	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #11	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	4589.3	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #12	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3177.3	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #12	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	2996.7	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #12	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	4651.7	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3107.6	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3005.7	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	4572.5	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3201.2	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3000.7	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	4620.4	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	3134.4	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	3000.6	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	4581.2	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3191.1	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3029.8	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	4639.1	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	3174.2	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	2991.1	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	4558.7	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3168.4	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3009.3	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	4578.9	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	3188.6	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	2996.7	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	4586.1	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3132.3	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3030.3	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	4636.1	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #7	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3199.3	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #7	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3021.0	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #7	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	4705.1	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #8	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3194.2	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #8	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3034.0	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #8	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	4715.8	Standard polar	33892256
8-Epiloganic acid,2TMS,isomer #9	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3203.6	Semi standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #9	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3021.7	Standard non polar	33892256
8-Epiloganic acid,2TMS,isomer #9	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	4728.9	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3053.2	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	3066.5	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C21	4146.6	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #10	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3177.1	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #10	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3054.2	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #10	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	4146.3	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3059.6	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3068.7	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	4220.4	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3007.3	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3085.2	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	4249.3	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3047.1	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3072.8	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	4242.7	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3175.2	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3085.8	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	4230.0	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #15	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3168.8	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #15	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3101.1	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #15	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	4289.1	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #16	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3160.9	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #16	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3084.6	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #16	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	4259.1	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #17	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3056.4	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #17	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3049.2	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #17	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	4150.0	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #18	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3055.9	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #18	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3062.0	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #18	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	4202.0	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #19	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3198.9	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #19	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3051.0	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #19	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	4157.0	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	3081.8	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	3032.7	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C21	4093.8	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #20	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3046.1	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #20	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3051.8	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #20	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	4176.5	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3060.9	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	3052.6	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C21	4125.7	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	3057.4	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	3045.5	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C21	4118.6	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3178.5	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3063.7	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	4189.6	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #6	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3156.7	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #6	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3092.3	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #6	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	4221.3	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #7	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3180.5	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #7	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3072.0	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #7	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	4213.1	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #8	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3181.2	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #8	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3049.7	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #8	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	4118.4	Standard polar	33892256
8-Epiloganic acid,3TMS,isomer #9	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3168.9	Semi standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #9	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3061.6	Standard non polar	33892256
8-Epiloganic acid,3TMS,isomer #9	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	4173.9	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	2950.9	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3080.1	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C21	3833.7	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #10	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3126.8	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #10	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3052.6	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #10	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3790.8	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	2947.6	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3085.0	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3901.2	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	2948.5	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3114.5	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3949.1	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2921.3	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3089.8	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3925.9	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3124.9	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3103.0	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3882.3	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2961.4	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3049.0	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3848.6	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	2919.8	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3096.3	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C21	3869.8	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	2935.5	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3092.2	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C21	3854.6	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	2949.7	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3054.1	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3790.7	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	2957.9	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3078.3	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3837.7	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #6	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2931.1	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #6	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3059.5	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #6	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3814.4	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #7	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3091.3	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #7	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3093.4	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #7	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3848.3	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #8	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3092.7	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #8	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3124.3	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #8	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3897.3	Standard polar	33892256
8-Epiloganic acid,4TMS,isomer #9	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3070.0	Semi standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #9	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3101.9	Standard non polar	33892256
8-Epiloganic acid,4TMS,isomer #9	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3871.9	Standard polar	33892256
8-Epiloganic acid,5TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	2860.1	Semi standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3079.3	Standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C21	3560.1	Standard polar	33892256
8-Epiloganic acid,5TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	2865.1	Semi standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3116.6	Standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #2	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C21	3606.2	Standard polar	33892256
8-Epiloganic acid,5TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2838.9	Semi standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3089.3	Standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #3	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3580.7	Standard polar	33892256
8-Epiloganic acid,5TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2818.1	Semi standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3049.6	Standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #4	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3505.6	Standard polar	33892256
8-Epiloganic acid,5TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2991.4	Semi standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3089.5	Standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #5	CC1C(O[Si](C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3529.9	Standard polar	33892256
8-Epiloganic acid,5TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2868.3	Semi standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3081.6	Standard non polar	33892256
8-Epiloganic acid,5TMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3610.6	Standard polar	33892256
8-Epiloganic acid,6TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	2786.9	Semi standard non polar	33892256
8-Epiloganic acid,6TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3092.1	Standard non polar	33892256
8-Epiloganic acid,6TMS,isomer #1	CC1C(O[Si](C)(C)C)CC2C(C(=O)O[Si](C)(C)C)=COC(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C21	3314.5	Standard polar	33892256
8-Epiloganic acid,1TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3482.4	Semi standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3186.4	Standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21	5078.5	Standard polar	33892256
8-Epiloganic acid,1TBDMS,isomer #2	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3466.1	Semi standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #2	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3241.3	Standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #2	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	5187.8	Standard polar	33892256
8-Epiloganic acid,1TBDMS,isomer #3	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3487.9	Semi standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #3	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3176.1	Standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #3	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	5095.8	Standard polar	33892256
8-Epiloganic acid,1TBDMS,isomer #4	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3484.4	Semi standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #4	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3183.8	Standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #4	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	5092.5	Standard polar	33892256
8-Epiloganic acid,1TBDMS,isomer #5	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3479.9	Semi standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #5	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3186.7	Standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #5	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	5120.6	Standard polar	33892256
8-Epiloganic acid,1TBDMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3425.9	Semi standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3176.7	Standard non polar	33892256
8-Epiloganic acid,1TBDMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	5003.5	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3601.2	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	3429.2	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O)C21	4486.0	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #10	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3568.7	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #10	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3426.2	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #10	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	4547.6	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3639.6	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3459.4	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4580.7	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #12	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3637.9	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #12	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3467.2	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #12	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4632.1	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3562.0	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3438.8	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4560.0	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3641.1	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3468.9	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #14	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	4607.8	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3569.1	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3438.2	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4569.6	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3641.4	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3510.1	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	4609.5	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #3	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3658.8	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #3	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3448.4	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #3	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	4544.8	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #4	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3660.1	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #4	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3464.3	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #4	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4557.9	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #5	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3649.7	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #5	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3457.6	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #5	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4568.2	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3543.9	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3481.4	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #6	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	4610.4	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #7	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3629.0	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #7	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3504.0	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #7	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	4671.2	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #8	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3636.3	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #8	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3516.6	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #8	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4679.3	Standard polar	33892256
8-Epiloganic acid,2TBDMS,isomer #9	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3635.2	Semi standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #9	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3509.0	Standard non polar	33892256
8-Epiloganic acid,2TBDMS,isomer #9	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4692.1	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3722.0	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	3675.8	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #1	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C21	4262.3	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #10	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3817.2	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #10	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3674.3	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #10	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	4265.3	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3692.7	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3666.6	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	4327.5	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3700.2	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3677.6	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #12	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4342.2	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3687.3	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3677.5	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #13	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4347.1	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #16	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3779.1	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #16	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3732.5	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #16	CC1C(O)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	4366.4	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #17	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3702.2	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #17	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3619.9	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #17	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4269.1	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #18	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3696.9	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #18	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3649.9	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #18	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4309.8	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3749.7	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3622.5	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	4213.5	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #20	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3704.6	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #20	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3634.0	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #20	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	4290.6	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #3	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3761.3	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #3	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3626.0	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #3	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4230.5	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #4	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3737.6	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #4	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3639.7	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #4	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4235.1	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #5	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3791.6	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #5	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	3714.5	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #5	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C21	4305.8	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #6	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3820.2	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #6	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3723.5	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #6	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4322.1	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #7	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3787.2	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #7	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3722.6	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #7	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4325.4	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #8	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3818.6	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #8	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3661.5	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #8	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4244.0	Standard polar	33892256
8-Epiloganic acid,3TBDMS,isomer #9	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3809.8	Semi standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #9	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	3692.4	Standard non polar	33892256
8-Epiloganic acid,3TBDMS,isomer #9	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C21	4288.2	Standard polar	33892256
8-Epiloganic acid,4TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(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)C3O)C21	3843.1	Semi standard non polar	33892256
8-Epiloganic acid,4TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(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)C3O)C21	3790.8	Standard non polar	33892256
8-Epiloganic acid,4TBDMS,isomer #11	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(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)C3O)C21	4109.9	Standard polar	33892256
8-Epiloganic acid,4TBDMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3812.1	Semi standard non polar	33892256
8-Epiloganic acid,4TBDMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	3753.6	Standard non polar	33892256
8-Epiloganic acid,4TBDMS,isomer #15	CC1C(O)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C21	4062.3	Standard polar	33892256
8-Epiloganic acid,4TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3882.9	Semi standard non polar	33892256
8-Epiloganic acid,4TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	3815.3	Standard non polar	33892256
8-Epiloganic acid,4TBDMS,isomer #2	CC1C(O[Si](C)(C)C(C)(C)C)CC2C(C(=O)O[Si](C)(C)C(C)(C)C)=COC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C21	4060.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4j-9225000000-f7065e000fef94368c2e	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_3_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_3_15) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_3_19) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Epiloganic acid GC-MS (TBDMS_4_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 8-Epiloganic acid 6V, Negative-QTOF	splash10-03di-3890000000-34cd15adbc354594310b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 8-Epiloganic acid 6V, Positive-QTOF	splash10-03di-3890000000-726d878e557d8e1a9f78	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Epiloganic acid 10V, Positive-QTOF	splash10-004j-0917000000-e0fda6e145f4540a007a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Epiloganic acid 20V, Positive-QTOF	splash10-004j-0900000000-3069a1267c1ab174cb49	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Epiloganic acid 40V, Positive-QTOF	splash10-0032-9630000000-b477275431fd79993fb5	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Epiloganic acid 10V, Negative-QTOF	splash10-004i-0009000000-7e91b81f578b31bb5e2f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Epiloganic acid 20V, Negative-QTOF	splash10-06vj-4639000000-b71d2e7ac5a2bea06060	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Epiloganic acid 40V, Negative-QTOF	splash10-052f-9612000000-e4f68b2430ea8da62d38	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

3630493

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4430509

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 8-Epiloganic acid (HMDB0247433)

MOL for HMDB0247433 (8-Epiloganic acid)

3D MOL for HMDB0247433 (8-Epiloganic acid)

3D SDF for HMDB0247433 (8-Epiloganic acid)

3D-SDF for HMDB0247433 (8-Epiloganic acid)

PDB for HMDB0247433 (8-Epiloganic acid)

3D PDB for HMDB0247433 (8-Epiloganic acid)

SMILES for HMDB0247433 (8-Epiloganic acid)

INCHI for HMDB0247433 (8-Epiloganic acid)

Structure for HMDB0247433 (8-Epiloganic acid)

3D Structure for HMDB0247433 (8-Epiloganic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra