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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:04:51 UTC

Update Date

2022-03-07 02:55:31 UTC

HMDB ID

HMDB0037823

Secondary Accession Numbers

HMDB37823

Metabolite Identification

Common Name

Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate

Description

Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate.

Structure

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

  Mrv0541 02241209382D          

 30 30  0  0  0  0            999 V2000
   -4.2837    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2837    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0002    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0002    1.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8549    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7164    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    2.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    1.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741   -2.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0002   -1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0002    0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4315   -1.0292    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END

HMDB0037823
     RDKit          3D
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate
 66 66  0  0  0  0  0  0  0  0999 V2000
   -1.3613   -0.4387   -0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -0.1735    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.0716    1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141   -0.2107    1.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9919   -0.1042    2.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7712   -0.4584    0.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1607   -0.5816   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7093    0.3316   -0.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0598    0.4691   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1550    1.5931    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6479    2.7833   -0.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6712   -0.7707   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0425   -0.8328   -0.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0375   -2.0435   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5166   -2.3395   -1.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5451   -1.9691   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9165   -2.9499    0.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212   -0.0232    0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    1.1513   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4844    1.3296    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    1.2567   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893    0.9868   -2.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    1.4438   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5619    0.1833   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387    0.2370   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.0112   -0.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    0.4056    0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343   -0.7416    1.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9194    0.2310    0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    1.5745    1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4970   -0.5187   -1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093   -1.3996   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    0.4267   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898    0.1245    2.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489   -0.4559    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6514    0.7933   -1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2109    1.7965    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5406    1.3437    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6630    2.8388   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6591   -0.7555    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1885   -0.7591   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3157   -2.8431    0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9150   -2.9803   -2.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1325   -1.9953   -1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1189   -2.8928    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -0.9501    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819    0.1738    1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    0.9579   -1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    2.0580    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    1.5256    1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    1.0770   -2.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    1.7326   -2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858   -0.0413   -2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    2.3272   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991    1.5618    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215   -0.7185   -0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147   -0.0261   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4986    0.9958   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801   -1.6000   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236   -0.8799    2.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027   -0.4693    1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6758   -1.6578    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   -0.7180    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1703    0.1435    2.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    1.0847    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934    1.4434    2.4197 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  2 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 16  7  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
  7 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 20 50  1  0
 22 51  1  0
 22 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 24 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 28 61  1  0
 28 62  1  0
 29 63  1  0
 29 64  1  0
 29 65  1  0
 30 66  1  0
M  END

  Mrv0541 02241209382D          

 30 30  0  0  0  0            999 V2000
   -4.2837    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2837    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0002    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0002    1.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8549    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7164    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    2.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    1.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453   -1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741   -2.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0002   -1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0002    0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4315   -1.0292    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037823

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3/b12-6+,13-10+

> <INCHI_KEY>
MSRVZJWXQUEINS-WAAHFECUSA-N

> <FORMULA>
C21H36O9

> <MOLECULAR_WEIGHT>
432.5051

> <EXACT_MASS>
432.23593275

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
46.83072421711311

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate

> <ALOGPS_LOGP>
0.45

> <JCHEM_LOGP>
0.3071985383333327

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.115969721856882

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.186045366558142

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810938220285514

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
109.63089999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.23e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037823
     RDKit          3D
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate
 66 66  0  0  0  0  0  0  0  0999 V2000
   -1.3613   -0.4387   -0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -0.1735    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.0716    1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141   -0.2107    1.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9919   -0.1042    2.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7712   -0.4584    0.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1607   -0.5816   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7093    0.3316   -0.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0598    0.4691   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1550    1.5931    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6479    2.7833   -0.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6712   -0.7707   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0425   -0.8328   -0.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0375   -2.0435   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5166   -2.3395   -1.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5451   -1.9691   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9165   -2.9499    0.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212   -0.0232    0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    1.1513   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4844    1.3296    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    1.2567   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893    0.9868   -2.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    1.4438   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5619    0.1833   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387    0.2370   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.0112   -0.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    0.4056    0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343   -0.7416    1.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9194    0.2310    0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    1.5745    1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4970   -0.5187   -1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093   -1.3996   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    0.4267   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898    0.1245    2.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489   -0.4559    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6514    0.7933   -1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2109    1.7965    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5406    1.3437    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6630    2.8388   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6591   -0.7555    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1885   -0.7591   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3157   -2.8431    0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9150   -2.9803   -2.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1325   -1.9953   -1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1189   -2.8928    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -0.9501    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819    0.1738    1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    0.9579   -1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    2.0580    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    1.5256    1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    1.0770   -2.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    1.7326   -2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858   -0.0413   -2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    2.3272   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991    1.5618    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215   -0.7185   -0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147   -0.0261   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4986    0.9958   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801   -1.6000   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236   -0.8799    2.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027   -0.4693    1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6758   -1.6578    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   -0.7180    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1703    0.1435    2.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    1.0847    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934    1.4434    2.4197 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  2 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 16  7  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
  7 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 20 50  1  0
 22 51  1  0
 22 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 24 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 28 61  1  0
 28 62  1  0
 29 63  1  0
 29 64  1  0
 29 65  1  0
 30 66  1  0
M  END

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      -7.996   4.234   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.996   2.694   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.334   1.924   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.667   1.924   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -9.334   3.464   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -5.329   2.694   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.667   0.384   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.997   1.924   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.662   2.694   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.330   1.924   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.662   4.234   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.007   2.694   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.337   1.924   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.675   2.694   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.005   1.924   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.675   4.234   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.339   2.694   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.339   4.234   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.672   1.924   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.672   0.384   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.339  -0.389   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.339  -1.926   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.672  -2.694   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.999  -1.926   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.999  -0.389   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.005  -2.694   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.672  -4.234   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       9.334  -2.694   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.334   0.384   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.672  -1.921   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2    6    7                                                  
CONECT    5    2                                                            
CONECT    6    4    8                                                       
CONECT    7    4                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9   12                                                       
CONECT   11    9                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14   17                                                       
CONECT   16   14                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24   27                                                  
CONECT   24   23   25   28                                                  
CONECT   25   20   24   29                                                  
CONECT   26   22   30                                                       
CONECT   27   23                                                            
CONECT   28   24                                                            
CONECT   29   25                                                            
CONECT   30   26                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   60    0
END

COMPND    HMDB0037823
HETATM    1  C1  UNL     1      -1.361  -0.439  -0.870  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.921  -0.174   0.514  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.780  -0.072   1.500  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.214  -0.211   1.304  1.00  0.00           C  
HETATM    5  O1  UNL     1      -3.992  -0.104   2.286  1.00  0.00           O  
HETATM    6  O2  UNL     1      -3.771  -0.458   0.069  1.00  0.00           O  
HETATM    7  C5  UNL     1      -5.161  -0.582  -0.053  1.00  0.00           C  
HETATM    8  O3  UNL     1      -5.709   0.332  -0.942  1.00  0.00           O  
HETATM    9  C6  UNL     1      -7.060   0.469  -0.628  1.00  0.00           C  
HETATM   10  C7  UNL     1      -7.155   1.593   0.404  1.00  0.00           C  
HETATM   11  O4  UNL     1      -6.648   2.783  -0.140  1.00  0.00           O  
HETATM   12  C8  UNL     1      -7.671  -0.771  -0.052  1.00  0.00           C  
HETATM   13  O5  UNL     1      -9.043  -0.833  -0.378  1.00  0.00           O  
HETATM   14  C9  UNL     1      -7.037  -2.044  -0.558  1.00  0.00           C  
HETATM   15  O6  UNL     1      -7.517  -2.339  -1.827  1.00  0.00           O  
HETATM   16  C10 UNL     1      -5.545  -1.969  -0.583  1.00  0.00           C  
HETATM   17  O7  UNL     1      -4.917  -2.950   0.155  1.00  0.00           O  
HETATM   18  C11 UNL     1       0.521  -0.023   0.788  1.00  0.00           C  
HETATM   19  C12 UNL     1       1.021   1.151  -0.027  1.00  0.00           C  
HETATM   20  C13 UNL     1       2.484   1.330   0.232  1.00  0.00           C  
HETATM   21  C14 UNL     1       3.395   1.257  -0.710  1.00  0.00           C  
HETATM   22  C15 UNL     1       2.989   0.987  -2.104  1.00  0.00           C  
HETATM   23  C16 UNL     1       4.856   1.444  -0.397  1.00  0.00           C  
HETATM   24  C17 UNL     1       5.562   0.183  -0.791  1.00  0.00           C  
HETATM   25  C18 UNL     1       7.039   0.237  -0.577  1.00  0.00           C  
HETATM   26  O8  UNL     1       7.614  -1.011  -0.993  1.00  0.00           O  
HETATM   27  C19 UNL     1       7.396   0.406   0.867  1.00  0.00           C  
HETATM   28  C20 UNL     1       6.734  -0.742   1.627  1.00  0.00           C  
HETATM   29  C21 UNL     1       8.919   0.231   0.975  1.00  0.00           C  
HETATM   30  O9  UNL     1       6.981   1.575   1.441  1.00  0.00           O  
HETATM   31  H1  UNL     1      -0.497  -0.519  -1.562  1.00  0.00           H  
HETATM   32  H2  UNL     1      -1.909  -1.400  -0.965  1.00  0.00           H  
HETATM   33  H3  UNL     1      -1.963   0.427  -1.204  1.00  0.00           H  
HETATM   34  H4  UNL     1      -1.390   0.124   2.496  1.00  0.00           H  
HETATM   35  H5  UNL     1      -5.649  -0.456   0.916  1.00  0.00           H  
HETATM   36  H6  UNL     1      -7.651   0.793  -1.508  1.00  0.00           H  
HETATM   37  H7  UNL     1      -8.211   1.796   0.666  1.00  0.00           H  
HETATM   38  H8  UNL     1      -6.541   1.344   1.268  1.00  0.00           H  
HETATM   39  H9  UNL     1      -5.663   2.839  -0.003  1.00  0.00           H  
HETATM   40  H10 UNL     1      -7.659  -0.755   1.077  1.00  0.00           H  
HETATM   41  H11 UNL     1      -9.188  -0.759  -1.345  1.00  0.00           H  
HETATM   42  H12 UNL     1      -7.316  -2.843   0.177  1.00  0.00           H  
HETATM   43  H13 UNL     1      -6.915  -2.980  -2.308  1.00  0.00           H  
HETATM   44  H14 UNL     1      -5.132  -1.995  -1.625  1.00  0.00           H  
HETATM   45  H15 UNL     1      -5.119  -2.893   1.112  1.00  0.00           H  
HETATM   46  H16 UNL     1       1.094  -0.950   0.559  1.00  0.00           H  
HETATM   47  H17 UNL     1       0.682   0.174   1.869  1.00  0.00           H  
HETATM   48  H18 UNL     1       0.802   0.958  -1.075  1.00  0.00           H  
HETATM   49  H19 UNL     1       0.498   2.058   0.381  1.00  0.00           H  
HETATM   50  H20 UNL     1       2.779   1.526   1.244  1.00  0.00           H  
HETATM   51  H21 UNL     1       3.852   1.077  -2.785  1.00  0.00           H  
HETATM   52  H22 UNL     1       2.230   1.733  -2.467  1.00  0.00           H  
HETATM   53  H23 UNL     1       2.586  -0.041  -2.223  1.00  0.00           H  
HETATM   54  H24 UNL     1       5.232   2.327  -0.910  1.00  0.00           H  
HETATM   55  H25 UNL     1       4.899   1.562   0.724  1.00  0.00           H  
HETATM   56  H26 UNL     1       5.121  -0.719  -0.299  1.00  0.00           H  
HETATM   57  H27 UNL     1       5.415  -0.026  -1.890  1.00  0.00           H  
HETATM   58  H28 UNL     1       7.499   0.996  -1.241  1.00  0.00           H  
HETATM   59  H29 UNL     1       6.880  -1.600  -1.340  1.00  0.00           H  
HETATM   60  H30 UNL     1       7.324  -0.880   2.555  1.00  0.00           H  
HETATM   61  H31 UNL     1       5.703  -0.469   1.907  1.00  0.00           H  
HETATM   62  H32 UNL     1       6.676  -1.658   1.006  1.00  0.00           H  
HETATM   63  H33 UNL     1       9.144  -0.718   0.443  1.00  0.00           H  
HETATM   64  H34 UNL     1       9.170   0.143   2.045  1.00  0.00           H  
HETATM   65  H35 UNL     1       9.413   1.085   0.480  1.00  0.00           H  
HETATM   66  H36 UNL     1       6.793   1.443   2.420  1.00  0.00           H  
CONECT    1    2   31   32   33
CONECT    2    3    3   18
CONECT    3    4   34
CONECT    4    5    5    6
CONECT    6    7
CONECT    7    8   16   35
CONECT    8    9
CONECT    9   10   12   36
CONECT   10   11   37   38
CONECT   11   39
CONECT   12   13   14   40
CONECT   13   41
CONECT   14   15   16   42
CONECT   15   43
CONECT   16   17   44
CONECT   17   45
CONECT   18   19   46   47
CONECT   19   20   48   49
CONECT   20   21   21   50
CONECT   21   22   23
CONECT   22   51   52   53
CONECT   23   24   54   55
CONECT   24   25   56   57
CONECT   25   26   27   58
CONECT   26   59
CONECT   27   28   29   30
CONECT   28   60   61   62
CONECT   29   63   64   65
CONECT   30   66
END

HMDB0037823
     RDKit          3D
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate
 66 66  0  0  0  0  0  0  0  0999 V2000
   -1.3613   -0.4387   -0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -0.1735    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.0716    1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141   -0.2107    1.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9919   -0.1042    2.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7712   -0.4584    0.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1607   -0.5816   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7093    0.3316   -0.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0598    0.4691   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1550    1.5931    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6479    2.7833   -0.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6712   -0.7707   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5212   -0.0232    0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    1.1513   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4844    1.3296    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    1.2567   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9194    0.2310    0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    1.5745    1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3898    0.1245    2.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489   -0.4559    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6514    0.7933   -1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2109    1.7965    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5406    1.3437    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6630    2.8388   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6591   -0.7555    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1885   -0.7591   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3157   -2.8431    0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9150   -2.9803   -2.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1325   -1.9953   -1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1189   -2.8928    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -0.9501    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819    0.1738    1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    0.9579   -1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    2.0580    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    1.5256    1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    1.0770   -2.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    1.7326   -2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858   -0.0413   -2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    2.3272   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991    1.5618    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215   -0.7185   -0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147   -0.0261   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4986    0.9958   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801   -1.6000   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236   -0.8799    2.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027   -0.4693    1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6758   -1.6578    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   -0.7180    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1703    0.1435    2.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    1.0847    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934    1.4434    2.4197 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
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  9 10  1  0
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  9 12  1  0
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  2 18  1  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Glucosyl (2E,6E,10X)-10,11-dihydroxy-2,6-farnesadienoic acid	Generator
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid	Generator

Chemical Formula

C₂₁H₃₆O₉

Average Molecular Weight

432.5051

Monoisotopic Molecular Weight

432.23593275

IUPAC Name

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate

Traditional Name

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate

CAS Registry Number

204927-92-4

SMILES

C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3/b12-6+,13-10+

InChI Key

MSRVZJWXQUEINS-WAAHFECUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Sesquiterpenoid
Farsesane sesquiterpenoid
Alkyl glycoside
Hexose monosaccharide
Fatty alcohol
Fatty acid ester
Fatty acyl
Monosaccharide
Oxane
Tertiary alcohol
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Polyol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Acetal
Oxacycle
Primary alcohol
Organic oxide
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxygen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037823)

Source

Endogenous

Endogenous (HMDB: HMDB0037823)

Animal

Animal (HMDB: HMDB0037823)

Exogenous

Food

Food (HMDB: HMDB0037823)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Exogenous (HMDB: HMDB0037823)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0037823)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0037823)

Lipid metabolism pathway (HMDB: HMDB0037823)

Cellular process

Cell signaling (HMDB: HMDB0037823)

Biochemical process

Lipid transport (HMDB: HMDB0037823)

Role

Biological role

Energy source (HMDB: HMDB0037823)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0037823)

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
Water Solubility	1.23 g/L	ALOGPS
logP	0.45	ALOGPS
logP	0.31	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	109.63 m³·mol⁻¹	ChemAxon
Polarizability	46.83 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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
DarkChem	[M+H]+	203.529	31661259
DarkChem	[M-H]-	195.52	31661259
DeepCCS	[M+H]+	208.589	30932474
DeepCCS	[M-H]-	206.231	30932474
DeepCCS	[M-2H]-	239.66	30932474
DeepCCS	[M+Na]+	214.889	30932474
AllCCS	[M+H]+	208.1	32859911
AllCCS	[M+H-H2O]+	206.1	32859911
AllCCS	[M+NH4]+	210.0	32859911
AllCCS	[M+Na]+	210.5	32859911
AllCCS	[M-H]-	202.0	32859911
AllCCS	[M+Na-2H]-	203.9	32859911
AllCCS	[M+HCOO]-	206.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate	C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O	3955.2	Standard polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate	C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O	3190.2	Standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate	C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\C(=O)OC1OC(CO)C(O)C(O)C1O	3261.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TMS,isomer #1	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3215.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TMS,isomer #2	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3297.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3231.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TMS,isomer #4	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3242.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3244.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TMS,isomer #6	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3244.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3156.4	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #10	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3186.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #11	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3181.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #12	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3191.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #13	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3189.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #14	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3185.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #15	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3192.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #2	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3170.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #3	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3161.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #4	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3170.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3237.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #6	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3234.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #7	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3244.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #8	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3242.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TMS,isomer #9	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3246.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3102.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #10	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3196.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #11	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3202.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #12	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3200.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #13	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3204.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #14	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3196.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #15	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3196.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #16	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3193.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #17	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3155.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #18	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3175.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #19	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3145.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #2	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3084.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #20	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3141.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3109.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #4	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3194.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3099.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #6	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3108.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #7	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3202.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #8	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3096.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TMS,isomer #9	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3197.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3082.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #10	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3166.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #11	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3184.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #12	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3203.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #13	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3167.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #14	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3144.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #15	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3158.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #2	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3108.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3183.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #4	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3067.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #5	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3172.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #6	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3181.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #7	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3062.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #8	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3174.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TMS,isomer #9	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3185.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,5TMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O	3066.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,5TMS,isomer #2	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3172.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,5TMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3190.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,5TMS,isomer #4	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3155.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,5TMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3134.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,5TMS,isomer #6	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C	3167.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,6TMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	3135.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TBDMS,isomer #1	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3469.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TBDMS,isomer #2	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3528.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TBDMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3439.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TBDMS,isomer #4	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3473.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TBDMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3469.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,1TBDMS,isomer #6	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3471.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3609.4	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #10	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3596.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #11	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3607.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #12	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3602.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #13	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3620.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #14	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3613.4	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #15	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3622.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #2	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3631.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #3	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3628.4	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #4	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3629.4	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3695.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #6	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3662.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #7	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3688.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #8	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3681.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,2TBDMS,isomer #9	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3686.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #1	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3779.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #10	C/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3842.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #11	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3831.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #12	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3829.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #13	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3831.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #14	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3845.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #15	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3837.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #16	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3846.1	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #17	C/C(=C\C(=O)OC1OC(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)C1O)CC/C=C(\C)CCC(O)C(C)(C)O	3800.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #18	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3804.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #19	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3790.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #2	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3775.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #20	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3781.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3780.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #4	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3824.9	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #5	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3798.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #6	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3793.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #7	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3847.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #8	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3796.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,3TBDMS,isomer #9	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3852.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #1	C/C(=C\C(=O)OC1OC(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)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3955.5	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #10	C/C(=C\C(=O)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	4001.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #11	C/C(=C\C(=O)OC1OC(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)C1O)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	4004.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #12	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	4016.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #13	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3990.2	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #14	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C	3992.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #15	C/C(=C\C(=O)OC1OC(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)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O)C(C)(C)O	3986.3	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #2	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3966.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #3	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3985.6	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #4	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3942.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #5	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3998.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #6	C/C(=C\C(=O)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3978.8	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #7	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O	3953.0	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #8	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	4007.7	Semi standard non polar	33892256
Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate,4TBDMS,isomer #9	C/C(=C\C(=O)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C	3997.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9403300000-89ade935c7e0b8ddf103	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate GC-MS (3 TMS) - 70eV, Positive	splash10-053r-6352239000-0602993cbc9044df41c3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 10V, Positive-QTOF	splash10-0wu0-0391300000-96cb8036abe15c5470c1	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 20V, Positive-QTOF	splash10-0ikc-0890000000-ac6016a0ea2b80c4e75e	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 40V, Positive-QTOF	splash10-0gwr-4940000000-d898fe65205b8dedfd44	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 10V, Negative-QTOF	splash10-0udi-0190200000-f109d4129463858c827c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 20V, Negative-QTOF	splash10-0j6r-3790100000-757dba12a668d21075ce	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 40V, Negative-QTOF	splash10-0frf-9360000000-f4c8435832b7ae591833	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 10V, Negative-QTOF	splash10-001i-1011900000-98eefd4e22763fd8648c	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 20V, Negative-QTOF	splash10-0kuu-7394500000-9ad6af8b4a3d36af7234	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 40V, Negative-QTOF	splash10-0pb9-7590000000-6fcd6402c3b69d270991	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 10V, Positive-QTOF	splash10-00kb-0559800000-dc88cc13b9dd82292d9e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 20V, Positive-QTOF	splash10-000j-1962000000-43abace242825e6dbcb9	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate 40V, Positive-QTOF	splash10-014i-9700000000-0c360200b0b046d5784f	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB016968

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752240

PDB ID

Not Available

ChEBI ID

167995

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

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
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 ]
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 ]
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 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate (HMDB0037823)

MOL for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

3D MOL for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

3D SDF for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

3D-SDF for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

PDB for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

3D PDB for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

SMILES for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

INCHI for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

Structure for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

3D Structure for HMDB0037823 (Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra