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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:15:16 UTC
Update Date2022-03-07 02:56:41 UTC
HMDB IDHMDB0040681
Secondary Accession Numbers
  • HMDB40681
Metabolite Identification
Common NameMelitric acid A
DescriptionMelitric acid A, also known as melitrate a, belongs to the class of organic compounds known as phenylpyruvic acid derivatives. Phenylpyruvic acid derivatives are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. Melitric acid A has been detected, but not quantified in, several different foods, such as herbal tea, teas (Camellia sinensis), black tea, red tea, and herbs and spices. This could make melitric acid a a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Melitric acid A.
Structure
Data?1563863576
Synonyms
ValueSource
Melitrate aGenerator
Schizotenuin eHMDB
(2Z)-2-{4-[(1E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoateGenerator
Chemical FormulaC27H22O12
Average Molecular Weight538.4564
Monoisotopic Molecular Weight538.111126168
IUPAC Name(2Z)-2-{4-[(1E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Traditional Name(2Z)-2-{4-[(1E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CAS Registry Number153765-45-8
SMILES
OC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)C=C1
InChI Identifier
InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-
InChI KeyMZSGWZGPESCJAN-JKXXRSRDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpyruvic acid derivatives. Phenylpyruvic acid derivatives are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylpyruvic acid derivatives
Direct ParentPhenylpyruvic acid derivatives
Alternative Parents
Substituents
  • Cinnamic acid
  • Cinnamic acid or derivatives
  • Coumaric acid or derivatives
  • Hydroxycinnamic acid
  • Hydroxycinnamic acid or derivatives
  • Enol-phenylpyruvate
  • Cinnamic acid ester
  • Phenoxyacetate
  • 3-phenylpropanoic-acid
  • Tricarboxylic acid or derivatives
  • Styrene
  • Catechol
  • Phenoxy compound
  • Phenol
  • Fatty acid ester
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Fatty acyl
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point135 - 138 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility28.22 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.006 g/LALOGPS
logP4.02ALOGPS
logP4.15ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)2.66ChemAxon
pKa (Strongest Basic)-5.1ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area211.28 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity136.16 m³·mol⁻¹ChemAxon
Polarizability51.3 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+215.97830932474
DeepCCS[M-H]-214.01330932474
DeepCCS[M-2H]-247.25230932474
DeepCCS[M+Na]+221.83930932474
AllCCS[M+H]+220.132859911
AllCCS[M+H-H2O]+218.632859911
AllCCS[M+NH4]+221.632859911
AllCCS[M+Na]+222.032859911
AllCCS[M-H]-213.832859911
AllCCS[M+Na-2H]-214.632859911
AllCCS[M+HCOO]-215.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Melitric acid AOC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)C=C18665.9Standard polar33892256
Melitric acid AOC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)C=C14701.9Standard non polar33892256
Melitric acid AOC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O\C(=C/C2=CC(O)=C(O)C=C2)C(O)=O)C=C15134.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Melitric acid A,1TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C15128.3Semi standard non polar33892256
Melitric acid A,1TMS,isomer #2C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O)=C2)C(=O)O)=CC=C1O5159.4Semi standard non polar33892256
Melitric acid A,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O5161.2Semi standard non polar33892256
Melitric acid A,1TMS,isomer #4C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O/C(=C\C1=CC=C(O)C(O)=C1)C(=O)O5254.2Semi standard non polar33892256
Melitric acid A,1TMS,isomer #5C[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O)C(=O)O)=CC=C1O5182.8Semi standard non polar33892256
Melitric acid A,1TMS,isomer #6C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O5168.1Semi standard non polar33892256
Melitric acid A,1TMS,isomer #7C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O5114.3Semi standard non polar33892256
Melitric acid A,2TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C14937.4Semi standard non polar33892256
Melitric acid A,2TMS,isomer #10C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O5031.5Semi standard non polar33892256
Melitric acid A,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4991.2Semi standard non polar33892256
Melitric acid A,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O4975.7Semi standard non polar33892256
Melitric acid A,2TMS,isomer #13C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O4978.7Semi standard non polar33892256
Melitric acid A,2TMS,isomer #14C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O4920.8Semi standard non polar33892256
Melitric acid A,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O5039.9Semi standard non polar33892256
Melitric acid A,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)C=C1O5043.3Semi standard non polar33892256
Melitric acid A,2TMS,isomer #17C[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)=CC=C1O5052.0Semi standard non polar33892256
Melitric acid A,2TMS,isomer #18C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C5059.5Semi standard non polar33892256
Melitric acid A,2TMS,isomer #19C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4933.9Semi standard non polar33892256
Melitric acid A,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C14924.4Semi standard non polar33892256
Melitric acid A,2TMS,isomer #20C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O[Si](C)(C)C5017.9Semi standard non polar33892256
Melitric acid A,2TMS,isomer #21C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4922.0Semi standard non polar33892256
Melitric acid A,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O)=C14933.2Semi standard non polar33892256
Melitric acid A,2TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14945.2Semi standard non polar33892256
Melitric acid A,2TMS,isomer #5C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4941.8Semi standard non polar33892256
Melitric acid A,2TMS,isomer #6C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C15046.6Semi standard non polar33892256
Melitric acid A,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O4964.4Semi standard non polar33892256
Melitric acid A,2TMS,isomer #8C[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)=CC=C1O4965.4Semi standard non polar33892256
Melitric acid A,2TMS,isomer #9C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4909.7Semi standard non polar33892256
Melitric acid A,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C14835.4Semi standard non polar33892256
Melitric acid A,3TMS,isomer #10C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14862.1Semi standard non polar33892256
Melitric acid A,3TMS,isomer #11C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4787.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #12C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14863.4Semi standard non polar33892256
Melitric acid A,3TMS,isomer #13C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4796.9Semi standard non polar33892256
Melitric acid A,3TMS,isomer #14C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14874.4Semi standard non polar33892256
Melitric acid A,3TMS,isomer #15C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4899.4Semi standard non polar33892256
Melitric acid A,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O4868.4Semi standard non polar33892256
Melitric acid A,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)C=C1O4874.6Semi standard non polar33892256
Melitric acid A,3TMS,isomer #18C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4763.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #19C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C(O)=C2)C(=O)O)=CC=C1O4875.2Semi standard non polar33892256
Melitric acid A,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O)=C14836.2Semi standard non polar33892256
Melitric acid A,3TMS,isomer #20C[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)=CC=C1O4872.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #21C[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)=CC=C1O4883.0Semi standard non polar33892256
Melitric acid A,3TMS,isomer #22C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4775.9Semi standard non polar33892256
Melitric acid A,3TMS,isomer #23C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4839.9Semi standard non polar33892256
Melitric acid A,3TMS,isomer #24C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4849.7Semi standard non polar33892256
Melitric acid A,3TMS,isomer #25C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O/C(=C\C1=CC=C(O)C(O)=C1)C(=O)O4922.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #26C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)C=C1O4886.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #27C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O4777.1Semi standard non polar33892256
Melitric acid A,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O4881.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #29C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O4789.0Semi standard non polar33892256
Melitric acid A,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14830.4Semi standard non polar33892256
Melitric acid A,3TMS,isomer #30C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4895.6Semi standard non polar33892256
Melitric acid A,3TMS,isomer #31C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4858.1Semi standard non polar33892256
Melitric acid A,3TMS,isomer #32C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4864.2Semi standard non polar33892256
Melitric acid A,3TMS,isomer #33C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O/C(=C\C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O4947.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #34C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4873.5Semi standard non polar33892256
Melitric acid A,3TMS,isomer #35C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O4866.2Semi standard non polar33892256
Melitric acid A,3TMS,isomer #4C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4782.1Semi standard non polar33892256
Melitric acid A,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14857.8Semi standard non polar33892256
Melitric acid A,3TMS,isomer #6C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O)=C14821.8Semi standard non polar33892256
Melitric acid A,3TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14818.7Semi standard non polar33892256
Melitric acid A,3TMS,isomer #8C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4770.6Semi standard non polar33892256
Melitric acid A,3TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14852.0Semi standard non polar33892256
Melitric acid A,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O)=C14781.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #10C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4748.2Semi standard non polar33892256
Melitric acid A,4TMS,isomer #11C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14788.5Semi standard non polar33892256
Melitric acid A,4TMS,isomer #12C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4679.8Semi standard non polar33892256
Melitric acid A,4TMS,isomer #13C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14775.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #14C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4686.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #15C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14776.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #16C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4739.0Semi standard non polar33892256
Melitric acid A,4TMS,isomer #17C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4774.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #18C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14842.9Semi standard non polar33892256
Melitric acid A,4TMS,isomer #19C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4754.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14783.8Semi standard non polar33892256
Melitric acid A,4TMS,isomer #20C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4763.0Semi standard non polar33892256
Melitric acid A,4TMS,isomer #21C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)C=C1O4843.9Semi standard non polar33892256
Melitric acid A,4TMS,isomer #22C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4747.8Semi standard non polar33892256
Melitric acid A,4TMS,isomer #23C[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O[Si](C)(C)C4855.2Semi standard non polar33892256
Melitric acid A,4TMS,isomer #24C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4750.5Semi standard non polar33892256
Melitric acid A,4TMS,isomer #25C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O4852.8Semi standard non polar33892256
Melitric acid A,4TMS,isomer #26C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4760.0Semi standard non polar33892256
Melitric acid A,4TMS,isomer #27C[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C=C2O[Si](C)(C)C)C(=O)O)=CC=C1O4844.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #28C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4753.6Semi standard non polar33892256
Melitric acid A,4TMS,isomer #29C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4756.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #3C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4741.9Semi standard non polar33892256
Melitric acid A,4TMS,isomer #30C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4829.9Semi standard non polar33892256
Melitric acid A,4TMS,isomer #31C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4760.5Semi standard non polar33892256
Melitric acid A,4TMS,isomer #32C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4862.2Semi standard non polar33892256
Melitric acid A,4TMS,isomer #33C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O4768.6Semi standard non polar33892256
Melitric acid A,4TMS,isomer #34C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4765.0Semi standard non polar33892256
Melitric acid A,4TMS,isomer #35C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4855.8Semi standard non polar33892256
Melitric acid A,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14813.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14803.1Semi standard non polar33892256
Melitric acid A,4TMS,isomer #6C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4697.5Semi standard non polar33892256
Melitric acid A,4TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14788.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #8C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4704.7Semi standard non polar33892256
Melitric acid A,4TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14790.2Semi standard non polar33892256
Melitric acid A,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O)=C14793.7Semi standard non polar33892256
Melitric acid A,5TMS,isomer #10C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4711.5Semi standard non polar33892256
Melitric acid A,5TMS,isomer #11C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4690.2Semi standard non polar33892256
Melitric acid A,5TMS,isomer #12C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14787.9Semi standard non polar33892256
Melitric acid A,5TMS,isomer #13C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4683.9Semi standard non polar33892256
Melitric acid A,5TMS,isomer #14C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4694.8Semi standard non polar33892256
Melitric acid A,5TMS,isomer #15C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4772.9Semi standard non polar33892256
Melitric acid A,5TMS,isomer #16C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4767.8Semi standard non polar33892256
Melitric acid A,5TMS,isomer #17C[Si](C)(C)OC1=CC(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O/C(=C\C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O4857.4Semi standard non polar33892256
Melitric acid A,5TMS,isomer #18C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O4780.9Semi standard non polar33892256
Melitric acid A,5TMS,isomer #19C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4776.9Semi standard non polar33892256
Melitric acid A,5TMS,isomer #2C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4685.9Semi standard non polar33892256
Melitric acid A,5TMS,isomer #20C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C4775.5Semi standard non polar33892256
Melitric acid A,5TMS,isomer #21C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C4788.8Semi standard non polar33892256
Melitric acid A,5TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C(O[Si](C)(C)C)=C14779.6Semi standard non polar33892256
Melitric acid A,5TMS,isomer #4C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O4697.3Semi standard non polar33892256
Melitric acid A,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14784.8Semi standard non polar33892256
Melitric acid A,5TMS,isomer #6C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4748.8Semi standard non polar33892256
Melitric acid A,5TMS,isomer #7C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O4708.6Semi standard non polar33892256
Melitric acid A,5TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C)=C14800.2Semi standard non polar33892256
Melitric acid A,5TMS,isomer #9C[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C4699.9Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C15450.9Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O)=C2)C(=O)O)=CC=C1O5448.4Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O5463.4Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O/C(=C\C1=CC=C(O)C(O)=C1)C(=O)O5546.1Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O)C(=O)O)=CC=C1O5471.9Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O5461.3Semi standard non polar33892256
Melitric acid A,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O5436.6Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C15539.1Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O5595.3Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5548.4Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O5600.9Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O5605.2Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C1O5500.9Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O)=C3)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O5624.3Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O5611.6Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O5618.3Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5606.2Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O5505.4Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C15516.3Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5566.2Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O5490.6Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C(O)=C15524.7Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C(O)=C15533.3Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C=C1O5522.0Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C15621.5Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O5570.8Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)=CC=C1O5574.6Semi standard non polar33892256
Melitric acid A,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O5485.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #1CC(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)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O)=C15619.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(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(O)=C15622.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C=C1O5554.0Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C15646.9Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C=C1O5562.8Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C15649.6Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C5676.5Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)C=C1O5698.8Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O5699.8Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O5591.8Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C(O)=C2)C(=O)O)=CC=C1O5677.9Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C(O)=C15692.9Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C=C2O)C(=O)O)=CC=C1O5681.9Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O5685.5Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O5591.7Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(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=C1O5609.7Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5631.7Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(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=C1O/C(=C\C1=CC=C(O)C(O)=C1)C(=O)O5687.1Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C(\OC2=CC=C(/C=C/C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)C=C2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O5744.1Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C1O5636.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C(O)=C2)C(=O)O)C=C1O5719.8Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C1O5632.3Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C(O)=C15689.8Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C/C2=CC=C(O/C(=C\C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O5729.4Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5653.5Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5639.3Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)=CC=C1O/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)O5698.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C5647.4Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #35CC(C)(C)[Si](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)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1O5615.7Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C=C1O5577.3Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C15665.6Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C(O)=C15657.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C(O)=C15655.2Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)/C(=C/C1=CC=C(O)C(O)=C1)OC1=CC=C(/C=C/C(=O)OC(CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C=C1O5545.4Semi standard non polar33892256
Melitric acid A,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C/C1=CC=C(O/C(=C\C2=CC=C(O)C(O)=C2)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C15635.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-1509100000-b71d18f989b21bfb8f752017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (2 TMS) - 70eV, Positivesplash10-0006-9607001000-3c9887601c1d66cdd68c2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melitric acid A GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 10V, Positive-QTOFsplash10-00di-0814090000-0b9c416f5f375ce0768e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 20V, Positive-QTOFsplash10-007p-0913120000-c1156d27f006c6d6094d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 40V, Positive-QTOFsplash10-00di-0901100000-81a24672e942d7fe265d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 10V, Negative-QTOFsplash10-0550-0807390000-b518f8807bedf1a683162017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 20V, Negative-QTOFsplash10-0bvr-0908110000-73c5dc282f2c7a29e1682017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 40V, Negative-QTOFsplash10-004i-0902000000-57e80b7847e3105e04322017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 10V, Negative-QTOFsplash10-000g-0102920000-da89bf821923cd2dd39d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 20V, Negative-QTOFsplash10-000i-0906320000-4302fefb3533831e48cc2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 40V, Negative-QTOFsplash10-0002-0934300000-e23d575c114ac2e9d29d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 10V, Positive-QTOFsplash10-006x-0209240000-2479d0b933791de314742021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 20V, Positive-QTOFsplash10-0002-0935000000-fbec4cccb2211b4755f92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melitric acid A 40V, Positive-QTOFsplash10-000b-0910000000-0c37997a48f962c713b02021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB020479
KNApSAcK IDC00039745
Chemspider ID8635292
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10459878
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1885411
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.. .