Hmdb loader

Showing metabocard for Fukinolic acid (HMDB0029499)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:46 UTC
Update Date2022-03-07 02:52:11 UTC
HMDB IDHMDB0029499
Secondary Accession Numbers
  • HMDB29499
Metabolite Identification
Common NameFukinolic acid
DescriptionFukinolic acid, also known as fukinolate, belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Based on a literature review very few articles have been published on Fukinolic acid.
Structure
Data?1582753427
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029499 (Fukinolic acid)


  Mrv0541 05061304472D          

 31 32  0  0  0  0            999 V2000
   -1.8240   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221    5.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4541    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105   -2.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    5.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406   -0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    4.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    6.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    5.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843    1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    3.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    3.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -3.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4018    7.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    6.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947    2.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7249    3.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491    3.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    2.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5009    2.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 15 13  2  0  0  0  0
  6 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20  9  1  0  0  0  0
 20 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  2  0  0  0  0
 26 18  2  0  0  0  0
 27 18  1  0  0  0  0
 28 19  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 16  1  0  0  0  0
 31 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029499 (Fukinolic acid)

HMDB0029499
     RDKit          3D
Fukinolic acid
 49 50  0  0  0  0  0  0  0  0999 V2000
    0.7651   -2.0741   -2.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093   -1.0465   -1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592   -1.0826   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325   -0.0105   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    0.0536    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5051    1.2639    1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6389    1.3717    1.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4445    0.2686    2.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057    0.3456    2.8731 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -0.9438    1.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8967   -2.0632    1.7407 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9354   -1.0479    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648    0.1144   -1.6804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    0.1785   -2.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    1.0626   -3.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5787    1.2553   -4.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5718    1.7179   -3.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9279    0.5033   -1.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    1.7191   -0.9153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149   -0.6090   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478   -0.4048    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    0.3298    1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034    0.5404    2.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728    0.0249    2.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3305    0.2355    3.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4535   -0.7037    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7271   -1.2287    0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4123   -0.9097    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    0.4144   -2.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3344   -0.6563   -3.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614    1.4157   -2.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841   -2.0146   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    0.9096   -0.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622    2.1226    1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    2.3351    2.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844   -0.4735    3.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.9323    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6617   -1.9927    0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121   -0.8560   -2.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    1.9755   -3.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    1.8751   -0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024   -1.5936   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357   -0.6277    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9715    0.7364    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8431    1.1104    3.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1692    0.7811    3.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9362   -1.7723   -0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5750   -1.4938   -0.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227    1.8766   -1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  2  0
 18 29  1  0
 29 30  2  0
 29 31  1  0
 12  5  1  0
 28 21  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  0
  7 35  1  0
  9 36  1  0
 11 37  1  0
 12 38  1  0
 14 39  1  0
 17 40  1  0
 19 41  1  0
 20 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 31 49  1  0
M  END
Download

3D SDF for HMDB0029499 (Fukinolic acid)


  Mrv0541 05061304472D          

 31 32  0  0  0  0            999 V2000
   -1.8240   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221    5.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4541    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105   -2.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    5.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406   -0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    4.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    6.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    5.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843    1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    3.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    3.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -3.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4018    7.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    6.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947    2.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7249    3.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491    3.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    2.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5009    2.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 15 13  2  0  0  0  0
  6 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20  9  1  0  0  0  0
 20 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  2  0  0  0  0
 26 18  2  0  0  0  0
 27 18  1  0  0  0  0
 28 19  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 16  1  0  0  0  0
 31 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029499

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+

> <INCHI_KEY>
ACYXDIZTQDLTCB-ZZXKWVIFSA-N

> <FORMULA>
C20H18O11

> <MOLECULAR_WEIGHT>
434.3503

> <EXACT_MASS>
434.084911418

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
39.339521814047686

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(3,4-dihydroxyphenyl)methyl]-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxybutanedioic acid

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
2.079921796333333

> <ALOGPS_LOGS>
-3.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.421808875800357

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9912091181348885

> <JCHEM_PKA_STRONGEST_BASIC>
-4.510960343020998

> <JCHEM_POLAR_SURFACE_AREA>
202.04999999999995

> <JCHEM_REFRACTIVITY>
103.03699999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fukinolic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029499 (Fukinolic acid)

HMDB0029499
     RDKit          3D
Fukinolic acid
 49 50  0  0  0  0  0  0  0  0999 V2000
    0.7651   -2.0741   -2.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093   -1.0465   -1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592   -1.0826   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325   -0.0105   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    0.0536    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5051    1.2639    1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6389    1.3717    1.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4445    0.2686    2.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057    0.3456    2.8731 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -0.9438    1.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8967   -2.0632    1.7407 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9354   -1.0479    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648    0.1144   -1.6804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    0.1785   -2.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    1.0626   -3.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5787    1.2553   -4.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5718    1.7179   -3.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9279    0.5033   -1.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    1.7191   -0.9153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149   -0.6090   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478   -0.4048    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    0.3298    1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034    0.5404    2.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728    0.0249    2.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3305    0.2355    3.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4535   -0.7037    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7271   -1.2287    0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4123   -0.9097    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    0.4144   -2.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3344   -0.6563   -3.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614    1.4157   -2.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841   -2.0146   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    0.9096   -0.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622    2.1226    1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    2.3351    2.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844   -0.4735    3.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.9323    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6617   -1.9927    0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121   -0.8560   -2.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    1.9755   -3.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    1.8751   -0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024   -1.5936   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357   -0.6277    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9715    0.7364    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8431    1.1104    3.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1692    0.7811    3.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9362   -1.7723   -0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5750   -1.4938   -0.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227    1.8766   -1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  2  0
 18 29  1  0
 29 30  2  0
 29 31  1  0
 12  5  1  0
 28 21  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  0
  7 35  1  0
  9 36  1  0
 11 37  1  0
 12 38  1  0
 14 39  1  0
 17 40  1  0
 19 41  1  0
 20 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 31 49  1  0
M  END
Download

PDB for HMDB0029499 (Fukinolic acid)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -3.405  -2.339   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.535  10.144   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.714   0.237   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.006  -3.827   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.136  11.632   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.625   1.326   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.828  -1.649   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.042   9.454   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.844   7.568   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.316  -1.250   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.446   9.055   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.519  -4.226   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.351  12.030   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.430  -3.137   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.441  10.941   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.024   2.813   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.821   5.789   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.844   5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.245   6.479   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.120  -5.713   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -0.750  13.518   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       1.058  -3.535   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.928  11.340   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -3.512   3.212   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.910   4.700   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -3.220   7.276   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.332   5.789   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.446   3.902   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.334   7.568   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -0.935   3.902   0.000  0.00  0.00           O+0
CONECT    1    4   10                                                       
CONECT    2    5   11                                                       
CONECT    3    6   10                                                       
CONECT    4    1   12                                                       
CONECT    5    2   13                                                       
CONECT    6    3   16                                                       
CONECT    7   10   14                                                       
CONECT    8   11   15                                                       
CONECT    9   11   20                                                       
CONECT   10    1    3    7                                                  
CONECT   11    2    8    9                                                  
CONECT   12    4   14   21                                                  
CONECT   13    5   15   22                                                  
CONECT   14    7   12   23                                                  
CONECT   15    8   13   24                                                  
CONECT   16    6   25   31                                                  
CONECT   17   18   20   31                                                  
CONECT   18   17   26   27                                                  
CONECT   19   20   28   29                                                  
CONECT   20    9   17   19   30                                             
CONECT   21   12                                                            
CONECT   22   13                                                            
CONECT   23   14                                                            
CONECT   24   15                                                            
CONECT   25   16                                                            
CONECT   26   18                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31   16   17                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   64    0
END
Download

3D PDB for HMDB0029499 (Fukinolic acid)

COMPND    HMDB0029499
HETATM    1  O1  UNL     1       0.765  -2.074  -2.115  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.209  -1.046  -1.543  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.459  -1.083  -0.768  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.933  -0.010  -0.165  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.143   0.054   0.614  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.505   1.264   1.187  1.00  0.00           C  
HETATM    7  C6  UNL     1       5.639   1.372   1.930  1.00  0.00           C  
HETATM    8  C7  UNL     1       6.444   0.269   2.121  1.00  0.00           C  
HETATM    9  O2  UNL     1       7.606   0.346   2.873  1.00  0.00           O  
HETATM   10  C8  UNL     1       6.086  -0.944   1.551  1.00  0.00           C  
HETATM   11  O3  UNL     1       6.897  -2.063   1.741  1.00  0.00           O  
HETATM   12  C9  UNL     1       4.935  -1.048   0.798  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.465   0.114  -1.680  1.00  0.00           O  
HETATM   14  C10 UNL     1      -0.739   0.178  -2.419  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.620   1.063  -3.599  1.00  0.00           C  
HETATM   16  O5  UNL     1      -1.579   1.255  -4.388  1.00  0.00           O  
HETATM   17  O6  UNL     1       0.572   1.718  -3.879  1.00  0.00           O  
HETATM   18  C12 UNL     1      -1.928   0.503  -1.562  1.00  0.00           C  
HETATM   19  O7  UNL     1      -1.821   1.719  -0.915  1.00  0.00           O  
HETATM   20  C13 UNL     1      -2.015  -0.609  -0.508  1.00  0.00           C  
HETATM   21  C14 UNL     1      -3.148  -0.405   0.402  1.00  0.00           C  
HETATM   22  C15 UNL     1      -2.950   0.330   1.546  1.00  0.00           C  
HETATM   23  C16 UNL     1      -4.003   0.540   2.427  1.00  0.00           C  
HETATM   24  C17 UNL     1      -5.273   0.025   2.187  1.00  0.00           C  
HETATM   25  O8  UNL     1      -6.331   0.235   3.070  1.00  0.00           O  
HETATM   26  C18 UNL     1      -5.454  -0.704   1.045  1.00  0.00           C  
HETATM   27  O9  UNL     1      -6.727  -1.229   0.791  1.00  0.00           O  
HETATM   28  C19 UNL     1      -4.412  -0.910   0.178  1.00  0.00           C  
HETATM   29  C20 UNL     1      -3.137   0.414  -2.397  1.00  0.00           C  
HETATM   30  O10 UNL     1      -3.334  -0.656  -3.035  1.00  0.00           O  
HETATM   31  O11 UNL     1      -4.061   1.416  -2.529  1.00  0.00           O  
HETATM   32  H1  UNL     1       2.984  -2.015  -0.704  1.00  0.00           H  
HETATM   33  H2  UNL     1       2.337   0.910  -0.277  1.00  0.00           H  
HETATM   34  H3  UNL     1       3.862   2.123   1.027  1.00  0.00           H  
HETATM   35  H4  UNL     1       5.890   2.335   2.363  1.00  0.00           H  
HETATM   36  H5  UNL     1       8.184  -0.473   3.003  1.00  0.00           H  
HETATM   37  H6  UNL     1       6.617  -2.932   1.317  1.00  0.00           H  
HETATM   38  H7  UNL     1       4.662  -1.993   0.356  1.00  0.00           H  
HETATM   39  H8  UNL     1      -0.912  -0.856  -2.823  1.00  0.00           H  
HETATM   40  H9  UNL     1       1.209   1.975  -3.128  1.00  0.00           H  
HETATM   41  H10 UNL     1      -0.904   1.875  -0.634  1.00  0.00           H  
HETATM   42  H11 UNL     1      -2.102  -1.594  -1.035  1.00  0.00           H  
HETATM   43  H12 UNL     1      -1.036  -0.628   0.003  1.00  0.00           H  
HETATM   44  H13 UNL     1      -1.972   0.736   1.746  1.00  0.00           H  
HETATM   45  H14 UNL     1      -3.843   1.110   3.311  1.00  0.00           H  
HETATM   46  H15 UNL     1      -6.169   0.781   3.913  1.00  0.00           H  
HETATM   47  H16 UNL     1      -6.936  -1.772  -0.024  1.00  0.00           H  
HETATM   48  H17 UNL     1      -4.575  -1.494  -0.729  1.00  0.00           H  
HETATM   49  H18 UNL     1      -4.423   1.877  -1.712  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   32
CONECT    4    5   33
CONECT    5    6    6   12
CONECT    6    7   34
CONECT    7    8    8   35
CONECT    8    9   10
CONECT    9   36
CONECT   10   11   12   12
CONECT   11   37
CONECT   12   38
CONECT   13   14
CONECT   14   15   18   39
CONECT   15   16   16   17
CONECT   17   40
CONECT   18   19   20   29
CONECT   19   41
CONECT   20   21   42   43
CONECT   21   22   22   28
CONECT   22   23   44
CONECT   23   24   24   45
CONECT   24   25   26
CONECT   25   46
CONECT   26   27   28   28
CONECT   27   47
CONECT   28   48
CONECT   29   30   30   31
CONECT   31   49
END
Download

SMILES for HMDB0029499 (Fukinolic acid)

OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O
Download

INCHI for HMDB0029499 (Fukinolic acid)

InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
FukinolateGenerator
2-[(3,4-Dihydroxyphenyl)methyl]-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxybutanedioateHMDB
Chemical FormulaC20H18O11
Average Molecular Weight434.3503
Monoisotopic Molecular Weight434.084911418
IUPAC Name2-[(3,4-dihydroxyphenyl)methyl]-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxybutanedioic acid
Traditional Namefukinolic acid
CAS Registry Number50982-40-6
SMILES
OC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+
InChI KeyACYXDIZTQDLTCB-ZZXKWVIFSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
Sub ClassHydroxycinnamic acids and derivatives
Direct ParentCoumaric acids and derivatives
Alternative Parents
Substituents
  • Cinnamic acid ester
  • Coumaric acid or derivatives
  • 3-phenylpropanoic-acid
  • Tricarboxylic acid or derivatives
  • Styrene
  • Catechol
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Sugar acid
  • Fatty acid ester
  • Hydroxy acid
  • Alpha-hydroxy acid
  • Monocyclic benzene moiety
  • Monosaccharide
  • Fatty acyl
  • Benzenoid
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Tertiary alcohol
  • Carboxylic acid ester
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.25 g/LALOGPS
logP2.44ALOGPS
logP2.08ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)2.99ChemAxon
pKa (Strongest Basic)-4.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area202.05 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity103.04 m³·mol⁻¹ChemAxon
Polarizability39.34 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+190.55830932474
DeepCCS[M-H]-188.16230932474
DeepCCS[M-2H]-221.05230932474
DeepCCS[M+Na]+196.47130932474
AllCCS[M+H]+197.032859911
AllCCS[M+H-H2O]+194.632859911
AllCCS[M+NH4]+199.232859911
AllCCS[M+Na]+199.832859911
AllCCS[M-H]-194.132859911
AllCCS[M+Na-2H]-194.432859911
AllCCS[M+HCOO]-194.832859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.4.03 minutes32390414
Predicted by Siyang on May 30, 202211.0792 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.15 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid221.9 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid897.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid188.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid80.4 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid140.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid59.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid409.5 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid300.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)888.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid657.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid250.8 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1042.1 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid175.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid223.2 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate468.1 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA298.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water395.9 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Fukinolic acidOC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O6767.9Standard polar33892256
Fukinolic acidOC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O3645.7Standard non polar33892256
Fukinolic acidOC(=O)C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)(CC1=CC(O)=C(O)C=C1)C(O)=O4003.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Fukinolic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O4105.1Semi standard non polar33892256
Fukinolic acid,1TMS,isomer #2C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O4083.9Semi standard non polar33892256
Fukinolic acid,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4077.9Semi standard non polar33892256
Fukinolic acid,1TMS,isomer #4C[Si](C)(C)OC(CC1=CC=C(O)C(O)=C1)(C(=O)O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4155.1Semi standard non polar33892256
Fukinolic acid,1TMS,isomer #5C[Si](C)(C)OC1=CC(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O4059.4Semi standard non polar33892256
Fukinolic acid,1TMS,isomer #6C[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4061.0Semi standard non polar33892256
Fukinolic acid,1TMS,isomer #7C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4077.6Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O3939.3Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #10C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3908.2Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4019.1Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O)=C2)(O[Si](C)(C)C)C(=O)O)C=C1O3986.7Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #13C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O3916.4Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #14C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O3909.9Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #15C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3898.9Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O3968.4Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #17C[Si](C)(C)OC1=CC(CC(O[Si](C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O3980.8Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #18C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3991.5Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #19C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3879.7Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O3945.1Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #20C[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C3966.2Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #21C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3879.6Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O4013.8Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3920.0Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3916.8Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C3944.0Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #7C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O)=C2)(O[Si](C)(C)C)C(=O)O)=CC=C1O3995.9Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #8C[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O3912.2Semi standard non polar33892256
Fukinolic acid,2TMS,isomer #9C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O3910.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O3893.0Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O3835.4Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #11C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3850.6Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3902.7Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #13C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3850.9Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #14C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C3746.0Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #15C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3749.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O3817.0Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #17C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)(O[Si](C)(C)C)C(=O)O)=CC=C1O3830.4Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3840.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O)=C2)(O[Si](C)(C)C)C(=O)O)C=C1O[Si](C)(C)C3943.6Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O3861.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #20C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3750.4Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #21C[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O3841.4Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #22C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O3825.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #23C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3751.0Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #24C[Si](C)(C)OC1=CC(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O3845.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #25C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3864.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #26C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)(O[Si](C)(C)C)C(=O)O)C=C1O3808.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #27C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)(O[Si](C)(C)C)C(=O)O)C=C1O3820.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #28C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3834.1Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #29C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O3827.0Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3766.1Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #30C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3748.6Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #31C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3746.3Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #32C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3808.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C3904.4Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #34C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3822.7Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #35C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3820.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3767.2Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C3769.7Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #6C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O3867.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3768.5Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3774.8Semi standard non polar33892256
Fukinolic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C3781.3Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O3841.7Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3702.7Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O3755.8Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #12C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3760.3Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #13C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3740.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3755.6Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C3715.2Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #16C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3715.8Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #17C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3809.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #18C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3707.7Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #19C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3721.2Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3755.4Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #20C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3721.1Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3727.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #22C[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O3812.1Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #23C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)(O[Si](C)(C)C)C(=O)O)=CC=C1O3817.3Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #24C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3728.9Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #25C[Si](C)(C)OC1=CC(CC(O[Si](C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O3826.8Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #26C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3829.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #27C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3752.1Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #28C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3752.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #29C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C3826.1Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3760.8Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #30C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3753.7Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #31C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)(O[Si](C)(C)C)C(=O)O)C=C1O3807.1Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #32C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3718.6Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #33C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3717.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #34C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3741.4Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #35C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O3797.5Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C3758.2Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O3748.3Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3751.2Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #7C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3731.7Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3743.6Semi standard non polar33892256
Fukinolic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C3703.7Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O3769.0Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #10C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3704.5Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #11C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3772.8Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #12C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3716.1Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #13C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3721.4Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #14C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3722.3Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #15C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3725.0Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #16C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O3745.6Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #17C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3737.7Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #18C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)(O[Si](C)(C)C)C(=O)O)C=C1O[Si](C)(C)C3841.6Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #19C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3744.6Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3775.8Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #20C[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3772.5Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #21C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O3723.6Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3756.2Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3783.3Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C3725.4Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #6C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3731.3Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #7C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3756.4Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #8C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3699.7Semi standard non polar33892256
Fukinolic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3701.6Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O3800.3Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #2C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3736.9Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #3C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3744.3Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #4C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C3748.1Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3716.2Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #6C[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3739.0Semi standard non polar33892256
Fukinolic acid,6TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(O[Si](C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O3773.7Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O4408.4Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O4387.8Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4385.5Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CC1=CC=C(O)C(O)=C1)(C(=O)O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4411.5Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O4363.2Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4364.4Semi standard non polar33892256
Fukinolic acid,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4398.0Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O4478.9Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4449.5Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4507.0Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O4449.9Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C1O4489.4Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O4480.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4451.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4425.0Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O4440.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4526.6Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4424.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O4479.5Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4452.5Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4423.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4529.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4452.9Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4453.5Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4510.1Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O4457.9Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O4488.8Semi standard non polar33892256
Fukinolic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O4477.9Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O4598.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4525.8Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4534.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4601.5Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4552.3Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4501.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C4496.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O4591.6Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O4592.3Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4544.7Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4596.0Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4553.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4595.5Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O4619.8Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O4589.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4581.8Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(CC(O)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O4613.5Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4576.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O4592.8Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O4591.8Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4547.3Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O4598.5Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4618.5Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4609.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4593.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4518.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4549.5Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4528.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4524.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4602.4Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4519.9Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4550.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4605.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4591.2Semi standard non polar33892256
Fukinolic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4515.9Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4675.6Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C4705.3Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4718.6Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4704.5Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4597.6Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4715.5Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4714.9Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C4689.9Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4641.4Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4579.4Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4582.7Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4741.7Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C4600.4Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4705.6Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O4737.1Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O4721.5Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4693.4Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(OC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O4730.9Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4668.5Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4711.1Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4737.1Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(O)(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4740.6Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4726.9Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4721.5Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OC(C(=O)O)C(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O4727.0Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4723.9Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4707.3Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O4719.4Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O4632.7Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)(CC1=CC=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4638.8Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4739.0Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O4721.1Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(CC1=CC=C(O)C(O)=C1)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4605.1Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O4728.3Semi standard non polar33892256
Fukinolic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C4732.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Fukinolic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0fe1-1901000000-15c1f12322ae8ce7e48d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fukinolic acid GC-MS (3 TMS) - 70eV, Positivesplash10-01bi-4960023000-6b34b16a481ef24d5d892017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fukinolic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Fukinolic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 10V, Positive-QTOFsplash10-00kr-0655900000-5fcd03c893da334bcdc82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 20V, Positive-QTOFsplash10-03mi-0931100000-7784be091f0e58fb31fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 40V, Positive-QTOFsplash10-05fr-1920000000-911f9e1f7b04224161522016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 10V, Negative-QTOFsplash10-0002-1935100000-4d73951088877a3ba9bf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 20V, Negative-QTOFsplash10-0hba-0942000000-6a5fc146fbe9fb289e2d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 40V, Negative-QTOFsplash10-0iml-1920000000-35ce33db6c6b40e227462016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 10V, Negative-QTOFsplash10-00mx-0967200000-8b3bfd3e8ccbbb06ecdf2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 20V, Negative-QTOFsplash10-0002-0950000000-29571a29742d5b08f4df2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 40V, Negative-QTOFsplash10-0019-0900000000-cc6db92ef3f5e60ee2d82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 10V, Positive-QTOFsplash10-01p9-0932800000-aa3cc7157d4d83c05a832021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 20V, Positive-QTOFsplash10-03dr-0920000000-e4ac9231b6dc94e57e492021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Fukinolic acid 40V, Positive-QTOFsplash10-00g0-1900000000-c7abe28757e4a93111f42021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB000632
KNApSAcK IDC00041531
Chemspider ID11416764
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22482507
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .