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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-05-22 15:12:45 UTC
Update Date2021-10-13 04:41:04 UTC
HMDB IDHMDB0003265
Secondary Accession Numbers
  • HMDB03265
Metabolite Identification
Common NameHesperidin
DescriptionHesperidin is an abundant and inexpensive by-product of Citrus cultivation and is the major flavonoid in sweet orange and lemon. In young immature oranges it can account for up to 14% of the fresh weight of the fruit. Hesperidin is an abundant and inexpensive by-product of Citrus cultivation and is the major flavonoid in sweet orange and lemon. In young immature oranges it can account for up to 14% of the fresh weight of the fruit due to vitamin C deficiency such as bruising due to capillary fragility were found in early studies to be relieved by crude vitamin C extract but not by purified vitamin C. The bioflavonoids, formerly called "vitamin P", were found to be the essential components in correcting this bruising tendency and improving the permeability and integrity of the capillary lining. These bioflavonoids include hesperidin, citrin, rutin, flavones, flavonols, catechin and quercetin. Of historical importance is the observation that "citrin", a mixture of two flavonoids, eriodictyol and hesperidin, was considered to possess a vitamin-like activity, as early as in 1949. Hesperidin deficiency has since been linked with abnormal capillary leakiness as well as pain in the extremities causing aches, weakness and night leg cramps. Supplemental hesperidin also helps in reducing oedema or excess swelling in the legs due to fluid accumulation. As with other bioflavonoids, hesperidin works best when administered concomitantly with vitamin C. No signs of toxicity have been observed with normal intake of hesperidin. Hesperidin was first discovered in 1827, by Lebreton, but not in a pure state and has been under continuous investigation since then (PMID:11746857 ).
Structure
Data?1582752268
Synonyms
ValueSource
7-Rhamnoglucoside, hesperetinHMDB
Hesperetin 7-rhamnoglucosideHMDB
Hesperetin-7-rutinosideHMDB
Atripliside bHMDB
Hesperetin 7 rhamnoglucosideHMDB
Hesperetin 7 rutinosideHMDB
(2S)-HesperidinHMDB
(S)-(-)-HesperidinHMDB
CirantinHMDB
CiratinHMDB
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7ci)HMDB
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7ci)HMDB
Hesper bitabsHMDB
Hesperetin 7-O-rutinosideHMDB
Hesperetin-rutinosideHMDB
HesperidineHMDB
HesperidosideHMDB
Hesperitin-7-rhamnoglucosideHMDB
2S, HesperidinMeSH
Hesperidin 2SMeSH
HesperidinMeSH
Chemical FormulaC28H34O15
Average Molecular Weight610.5606
Monoisotopic Molecular Weight610.189770418
IUPAC Name(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Namehesperidine
CAS Registry Number520-26-3
SMILES
COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O
InChI Identifier
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21+,22-,23+,24-,25+,26+,27-,28?/m0/s1
InChI KeyQUQPHWDTPGMPEX-UNZJSITISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • 4p-methoxyflavonoid-skeleton
  • 3'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavanone
  • Hydroxyflavonoid
  • Flavan
  • Phenolic glycoside
  • Chromone
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Chromane
  • Benzopyran
  • Methoxyphenol
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Aryl alkyl ketone
  • Aryl ketone
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Oxane
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Acetal
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Polyol
  • Alcohol
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point262 °CNot Available
Boiling Point930.00 to 931.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility2125 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-1.212 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.69 g/LALOGPS
logP10(-0.27) g/LALOGPS
logP10(-0.31) g/LChemAxon
logS10(-2.4) g/LALOGPS
pKa (Strongest Acidic)8.61ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area234.29 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity140.77 m³·mol⁻¹ChemAxon
Polarizability59.87 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
HesperidinCOC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O5629.0Standard polar33892256
HesperidinCOC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O4815.8Standard non polar33892256
HesperidinCOC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O5408.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hesperidin,1TMS,isomer #1COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4980.4Semi standard non polar33892256
Hesperidin,1TMS,isomer #2COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4940.5Semi standard non polar33892256
Hesperidin,1TMS,isomer #3COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4912.5Semi standard non polar33892256
Hesperidin,1TMS,isomer #4COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4925.6Semi standard non polar33892256
Hesperidin,1TMS,isomer #5COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4936.6Semi standard non polar33892256
Hesperidin,1TMS,isomer #6COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4933.8Semi standard non polar33892256
Hesperidin,1TMS,isomer #7COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4941.0Semi standard non polar33892256
Hesperidin,1TMS,isomer #8COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4960.9Semi standard non polar33892256
Hesperidin,2TMS,isomer #1COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4863.8Semi standard non polar33892256
Hesperidin,2TMS,isomer #10COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4767.0Semi standard non polar33892256
Hesperidin,2TMS,isomer #11COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4783.1Semi standard non polar33892256
Hesperidin,2TMS,isomer #12COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4768.2Semi standard non polar33892256
Hesperidin,2TMS,isomer #13COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4787.6Semi standard non polar33892256
Hesperidin,2TMS,isomer #14COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4776.1Semi standard non polar33892256
Hesperidin,2TMS,isomer #15COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4765.7Semi standard non polar33892256
Hesperidin,2TMS,isomer #16COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4753.5Semi standard non polar33892256
Hesperidin,2TMS,isomer #17COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4741.2Semi standard non polar33892256
Hesperidin,2TMS,isomer #18COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4756.5Semi standard non polar33892256
Hesperidin,2TMS,isomer #19COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4792.1Semi standard non polar33892256
Hesperidin,2TMS,isomer #2COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4849.6Semi standard non polar33892256
Hesperidin,2TMS,isomer #20COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4767.2Semi standard non polar33892256
Hesperidin,2TMS,isomer #21COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4744.2Semi standard non polar33892256
Hesperidin,2TMS,isomer #22COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4782.9Semi standard non polar33892256
Hesperidin,2TMS,isomer #23COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4808.6Semi standard non polar33892256
Hesperidin,2TMS,isomer #24COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4783.0Semi standard non polar33892256
Hesperidin,2TMS,isomer #25COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4819.4Semi standard non polar33892256
Hesperidin,2TMS,isomer #26COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4793.0Semi standard non polar33892256
Hesperidin,2TMS,isomer #27COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4803.3Semi standard non polar33892256
Hesperidin,2TMS,isomer #28COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4817.2Semi standard non polar33892256
Hesperidin,2TMS,isomer #3COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4816.7Semi standard non polar33892256
Hesperidin,2TMS,isomer #4COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4841.5Semi standard non polar33892256
Hesperidin,2TMS,isomer #5COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4848.6Semi standard non polar33892256
Hesperidin,2TMS,isomer #6COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4826.1Semi standard non polar33892256
Hesperidin,2TMS,isomer #7COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4865.3Semi standard non polar33892256
Hesperidin,2TMS,isomer #8COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4810.7Semi standard non polar33892256
Hesperidin,2TMS,isomer #9COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4749.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #1COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4715.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #10COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4678.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #11COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4718.3Semi standard non polar33892256
Hesperidin,3TMS,isomer #12COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4711.9Semi standard non polar33892256
Hesperidin,3TMS,isomer #13COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4683.7Semi standard non polar33892256
Hesperidin,3TMS,isomer #14COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4662.6Semi standard non polar33892256
Hesperidin,3TMS,isomer #15COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4695.3Semi standard non polar33892256
Hesperidin,3TMS,isomer #16COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4704.1Semi standard non polar33892256
Hesperidin,3TMS,isomer #17COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4674.0Semi standard non polar33892256
Hesperidin,3TMS,isomer #18COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4721.7Semi standard non polar33892256
Hesperidin,3TMS,isomer #19COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4709.3Semi standard non polar33892256
Hesperidin,3TMS,isomer #2COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4688.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #20COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4745.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #21COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4730.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #22COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4641.5Semi standard non polar33892256
Hesperidin,3TMS,isomer #23COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4657.1Semi standard non polar33892256
Hesperidin,3TMS,isomer #24COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4669.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #25COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4658.3Semi standard non polar33892256
Hesperidin,3TMS,isomer #26COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4674.7Semi standard non polar33892256
Hesperidin,3TMS,isomer #27COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O4659.9Semi standard non polar33892256
Hesperidin,3TMS,isomer #28COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4640.1Semi standard non polar33892256
Hesperidin,3TMS,isomer #29COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4621.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #3COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4712.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #30COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4651.7Semi standard non polar33892256
Hesperidin,3TMS,isomer #31COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4653.9Semi standard non polar33892256
Hesperidin,3TMS,isomer #32COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4634.7Semi standard non polar33892256
Hesperidin,3TMS,isomer #33COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4667.1Semi standard non polar33892256
Hesperidin,3TMS,isomer #34COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4652.4Semi standard non polar33892256
Hesperidin,3TMS,isomer #35COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4693.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #36COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4671.9Semi standard non polar33892256
Hesperidin,3TMS,isomer #37COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4658.5Semi standard non polar33892256
Hesperidin,3TMS,isomer #38COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4650.5Semi standard non polar33892256
Hesperidin,3TMS,isomer #39COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4647.7Semi standard non polar33892256
Hesperidin,3TMS,isomer #4COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4715.9Semi standard non polar33892256
Hesperidin,3TMS,isomer #40COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4656.4Semi standard non polar33892256
Hesperidin,3TMS,isomer #41COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4654.4Semi standard non polar33892256
Hesperidin,3TMS,isomer #42COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4631.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #43COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4669.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #44COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4640.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #45COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4676.9Semi standard non polar33892256
Hesperidin,3TMS,isomer #46COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4651.3Semi standard non polar33892256
Hesperidin,3TMS,isomer #47COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4660.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #48COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4645.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #49COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4676.1Semi standard non polar33892256
Hesperidin,3TMS,isomer #5COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4689.4Semi standard non polar33892256
Hesperidin,3TMS,isomer #50COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4652.1Semi standard non polar33892256
Hesperidin,3TMS,isomer #51COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4686.0Semi standard non polar33892256
Hesperidin,3TMS,isomer #52COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4668.3Semi standard non polar33892256
Hesperidin,3TMS,isomer #53COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4664.6Semi standard non polar33892256
Hesperidin,3TMS,isomer #54COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4699.6Semi standard non polar33892256
Hesperidin,3TMS,isomer #55COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4719.5Semi standard non polar33892256
Hesperidin,3TMS,isomer #56COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4684.8Semi standard non polar33892256
Hesperidin,3TMS,isomer #6COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4740.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #7COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4690.0Semi standard non polar33892256
Hesperidin,3TMS,isomer #8COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4702.2Semi standard non polar33892256
Hesperidin,3TMS,isomer #9COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4707.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #1COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4607.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #10COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4626.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #11COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4603.5Semi standard non polar33892256
Hesperidin,4TMS,isomer #12COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4651.5Semi standard non polar33892256
Hesperidin,4TMS,isomer #13COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4624.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #14COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4650.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #15COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4647.7Semi standard non polar33892256
Hesperidin,4TMS,isomer #16COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4637.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #17COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4614.0Semi standard non polar33892256
Hesperidin,4TMS,isomer #18COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4589.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #19COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4636.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #2COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4620.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #20COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4623.4Semi standard non polar33892256
Hesperidin,4TMS,isomer #21COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4594.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #22COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4644.7Semi standard non polar33892256
Hesperidin,4TMS,isomer #23COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4619.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #24COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4651.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #25COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4640.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #26COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4631.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #27COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4600.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #28COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4656.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #29COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4607.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #3COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4628.4Semi standard non polar33892256
Hesperidin,4TMS,isomer #30COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4637.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #31COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4626.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #32COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C4623.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #33COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4653.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #34COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4647.4Semi standard non polar33892256
Hesperidin,4TMS,isomer #35COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4681.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #36COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4584.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #37COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4572.5Semi standard non polar33892256
Hesperidin,4TMS,isomer #38COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4568.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #39COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4591.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #4COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4604.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #40COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4583.0Semi standard non polar33892256
Hesperidin,4TMS,isomer #41COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4575.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #42COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4602.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #43COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4584.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #44COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4611.7Semi standard non polar33892256
Hesperidin,4TMS,isomer #45COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4604.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #46COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O4589.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #47COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4560.7Semi standard non polar33892256
Hesperidin,4TMS,isomer #48COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4615.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #49COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4572.4Semi standard non polar33892256
Hesperidin,4TMS,isomer #5COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4648.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #50COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4600.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #51COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4586.9Semi standard non polar33892256
Hesperidin,4TMS,isomer #52COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4575.5Semi standard non polar33892256
Hesperidin,4TMS,isomer #53COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4605.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #54COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4593.0Semi standard non polar33892256
Hesperidin,4TMS,isomer #55COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4629.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #56COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4586.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #57COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4575.7Semi standard non polar33892256
Hesperidin,4TMS,isomer #58COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4610.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #59COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4582.4Semi standard non polar33892256
Hesperidin,4TMS,isomer #6COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4632.1Semi standard non polar33892256
Hesperidin,4TMS,isomer #60COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4603.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #61COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4598.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #62COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O4588.0Semi standard non polar33892256
Hesperidin,4TMS,isomer #63COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4615.4Semi standard non polar33892256
Hesperidin,4TMS,isomer #64COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4607.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #65COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4618.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #66COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O4584.2Semi standard non polar33892256
Hesperidin,4TMS,isomer #67COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4607.5Semi standard non polar33892256
Hesperidin,4TMS,isomer #68COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4605.7Semi standard non polar33892256
Hesperidin,4TMS,isomer #69COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O4634.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #7COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4609.3Semi standard non polar33892256
Hesperidin,4TMS,isomer #70COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O4627.6Semi standard non polar33892256
Hesperidin,4TMS,isomer #8COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4596.8Semi standard non polar33892256
Hesperidin,4TMS,isomer #9COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C4629.4Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #1COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5214.8Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #2COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O5190.6Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #3COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O5160.8Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #4COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O5163.5Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #5COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O5168.1Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #6COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O5174.5Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #7COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O5180.3Semi standard non polar33892256
Hesperidin,1TBDMS,isomer #8COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5197.0Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #1COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C5292.1Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #10COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O5230.5Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #11COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O5246.3Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #12COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O5252.5Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #13COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O5246.8Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #14COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5239.9Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #15COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O5225.4Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #16COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O5227.6Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #17COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O5228.4Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #18COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O5224.1Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #19COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5237.0Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #2COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5292.6Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #20COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O5219.1Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #21COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O5224.3Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #22COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O5225.7Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #23COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5243.7Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #24COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O5236.1Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #25COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O5245.6Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #26COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5250.5Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #27COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O5249.7Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #28COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5251.7Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #3COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5263.4Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #4COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5269.5Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #5COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5268.5Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #6COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5267.6Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #7COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C5281.9Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #8COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O5268.8Semi standard non polar33892256
Hesperidin,2TBDMS,isomer #9COC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(OC4O[C@H](CO[C@H]5O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O5218.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0007-7432290000-b2e363b3a4573c409d872017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (1 TMS) - 70eV, Positivesplash10-066r-7330019000-b63391bb7f1e41c9f7782017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hesperidin GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 40V, Negative-QTOFsplash10-0a4i-0960000000-19057cfec7c79b016a552018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 10V, Negative-QTOFsplash10-0a4i-0960000000-19057cfec7c79b016a552018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 20V, Negative-QTOFsplash10-0a4i-0960000000-19057cfec7c79b016a552018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF , Negative-QTOFsplash10-0a4i-0960000000-19057cfec7c79b016a552018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 50V, Negative-QTOFsplash10-0a4i-0960000000-19057cfec7c79b016a552018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 30V, Negative-QTOFsplash10-0a4i-0960000000-19057cfec7c79b016a552018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 40V, Negative-QTOFsplash10-0udi-0009000000-283330c229581467aa8c2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 10V, Negative-QTOFsplash10-0a4i-0002009000-ef46dd12935025cc99f32018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 20V, Negative-QTOFsplash10-0udi-0009002000-4750b2aa846256abc7dc2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF , Negative-QTOFsplash10-0a4i-0010009000-7d463589853787a4d83a2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 50V, Negative-QTOFsplash10-0udi-0029000000-5abbbe61f9472ac9f4462018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin ESI-TOF 30V, Negative-QTOFsplash10-0udi-0009000000-865b6028ed5cc1fd73d82018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-qTof , Positive-QTOFsplash10-0udi-2924000000-2288595ee1b67877de4b2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-QTOF , negative-QTOFsplash10-0a4i-0000009000-8c42f8adffac7d78b94c2018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-QTOF , negative-QTOFsplash10-0zfr-0006009000-1f68460ef007fbd1cfa92018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-QTOF , negative-QTOFsplash10-0udi-0009002000-26d653ee690ce5c6cd202018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-QTOF , negative-QTOFsplash10-0udi-0009000000-a4d68b31e046fbf057d62018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-QTOF , negative-QTOFsplash10-0udi-0019000000-e9135e61d5aa11f401352018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hesperidin LC-ESI-QTOF , negative-QTOFsplash10-0udi-0119003000-80c5f918f82d46fc11312018-05-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperidin 10V, Positive-QTOFsplash10-0udl-0449354000-fbc98e9137414ef7f9d72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperidin 20V, Positive-QTOFsplash10-0udr-0798110000-16e3084699e73d1ab59d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperidin 40V, Positive-QTOFsplash10-0udj-0922000000-3a62c905fced57caf0602017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperidin 10V, Negative-QTOFsplash10-0r00-5649448000-9cac05e933663578912d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperidin 20V, Negative-QTOFsplash10-0udi-3759130000-62395a3dbb85c7dd9d092017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hesperidin 40V, Negative-QTOFsplash10-0udi-3698000000-d4e4fc069a84c3e6d9e02017-09-01Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Feces
Tissue Locations
  • Intestine
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002680
KNApSAcK IDC00000970
Chemspider ID35013051
KEGG Compound IDC09755
BioCyc IDCPD-7075
BiGG IDNot Available
Wikipedia LinkHesperidin
METLIN ID3678
PubChem Compound53477767
PDB IDNot Available
ChEBI ID28775
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1108831
References
Synthesis ReferenceKometani T; Nishimura T; Nakae T; Takii H; Okada S Synthesis of neohesperidin glycosides and naringin glycosides by cyclodextrin glucanotransferase from an alkalophilic Bacillus species. Bioscience, biotechnology, and biochemistry (1996), 60(4), 645-9.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Kanaze FI, Kokkalou E, Georgarakis M, Niopas I: A validated solid-phase extraction HPLC method for the simultaneous determination of the citrus flavanone aglycones hesperetin and naringenin in urine. J Pharm Biomed Anal. 2004 Sep 21;36(1):175-81. [PubMed:15351063 ]
  2. Nielsen IL, Chee WS, Poulsen L, Offord-Cavin E, Rasmussen SE, Frederiksen H, Enslen M, Barron D, Horcajada MN, Williamson G: Bioavailability is improved by enzymatic modification of the citrus flavonoid hesperidin in humans: a randomized, double-blind, crossover trial. J Nutr. 2006 Feb;136(2):404-8. [PubMed:16424119 ]
  3. Li QS, Lou GY, Qian MZ: [Effect of hesperidin and rutin on oxidative modification of high density lipoprotein in vitro]. Zhong Xi Yi Jie He Xue Bao. 2004 Mar;2(2):115-6, 119. [PubMed:15339471 ]
  4. Lee NK, Choi SH, Park SH, Park EK, Kim DH: Antiallergic activity of hesperidin is activated by intestinal microflora. Pharmacology. 2004 Aug;71(4):174-80. [PubMed:15240993 ]
  5. Garg A, Garg S, Zaneveld LJ, Singla AK: Chemistry and pharmacology of the Citrus bioflavonoid hesperidin. Phytother Res. 2001 Dec;15(8):655-69. [PubMed:11746857 ]

Enzymes

General function:
Involved in protein kinase activity
Specific function:
May be directly involved in regulating the cleavage of polar spindle microtubules and is a key regulator for the onset of cytokinesis during mitosis. Component of the chromosomal passenger complex (CPC), a complex that acts as a key regulator of mitosis. The CPC complex has essential functions at the centromere in ensuring correct chromosome alignment and segregation and is required for chromatin-induced microtubule stabilization and spindle assembly. Phosphorylates 'Ser-10' and 'Ser-28' of histone H3 during mitosis. Required for kinetochore localization of BUB1 and SGOL1
Gene Name:
AURKB
Uniprot ID:
Q96GD4
Molecular weight:
39280.1
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]