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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:40 UTC
Update Date2022-03-07 02:52:10 UTC
HMDB IDHMDB0029482
Secondary Accession Numbers
  • HMDB29482
Metabolite Identification
Common NameDidymin
DescriptionDidymin 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. Didymin is found, on average, in the highest concentration within a few different foods, such as sweet oranges (Citrus sinensis), mandarin orange (clementine, tangerine), and grapefruits (Citrus X paradisi). Didymin has also been detected, but not quantified in, several different foods, such as citrus, teas (Camellia sinensis), red tea, green tea, and grapefruit/pummelo hybrids (Citrus paradisi X Citrus maxima). This could make didymin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Didymin.
Structure
Data?1582753424
Synonyms
ValueSource
4'-Methoxy-5,7-dihydroxyflavanone-7-O-rutinosideHMDB
NeoponcirinHMDB
Chemical FormulaC28H34O14
Average Molecular Weight594.5612
Monoisotopic Molecular Weight594.194855796
IUPAC Name5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Name5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one
CAS Registry Number14259-47-3
SMILES
COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O
InChI Identifier
InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3
InChI KeyRMCRQBAILCLJGU-UHFFFAOYSA-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
  • Hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavanone
  • Flavan
  • Phenolic glycoside
  • O-glycosyl compound
  • Glycosyl compound
  • Disaccharide
  • Chromone
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Phenol ether
  • Anisole
  • Aryl ketone
  • Aryl alkyl ketone
  • Methoxybenzene
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxane
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Polyol
  • Ether
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point211 - 213 °CNot Available
Boiling Point896.60 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility636.3 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.720 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.01 g/LALOGPS
logP-0.11ALOGPS
logP-0.011ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)9.84ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area214.06 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity138.79 m³·mol⁻¹ChemAxon
Polarizability59.41 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+233.08631661259
DarkChem[M-H]-229.47231661259
DeepCCS[M+H]+224.39730932474
DeepCCS[M-H]-222.00230932474
DeepCCS[M-2H]-254.88730932474
DeepCCS[M+Na]+230.3130932474
AllCCS[M+H]+233.832859911
AllCCS[M+H-H2O]+232.632859911
AllCCS[M+NH4]+234.832859911
AllCCS[M+Na]+235.132859911
AllCCS[M-H]-225.232859911
AllCCS[M+Na-2H]-227.732859911
AllCCS[M+HCOO]-230.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DidyminCOC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O5267.8Standard polar33892256
DidyminCOC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O4848.0Standard non polar33892256
DidyminCOC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O5305.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Didymin,1TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C15150.1Semi standard non polar33892256
Didymin,1TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C15108.8Semi standard non polar33892256
Didymin,1TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C15113.1Semi standard non polar33892256
Didymin,1TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C15141.0Semi standard non polar33892256
Didymin,1TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C15157.7Semi standard non polar33892256
Didymin,1TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C15154.1Semi standard non polar33892256
Didymin,1TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C15151.8Semi standard non polar33892256
Didymin,2TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C15080.5Semi standard non polar33892256
Didymin,2TMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14979.6Semi standard non polar33892256
Didymin,2TMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14994.5Semi standard non polar33892256
Didymin,2TMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C15044.2Semi standard non polar33892256
Didymin,2TMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C15012.2Semi standard non polar33892256
Didymin,2TMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14988.2Semi standard non polar33892256
Didymin,2TMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C15030.4Semi standard non polar33892256
Didymin,2TMS,isomer #16COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C15074.8Semi standard non polar33892256
Didymin,2TMS,isomer #17COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C15067.5Semi standard non polar33892256
Didymin,2TMS,isomer #18COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C15090.6Semi standard non polar33892256
Didymin,2TMS,isomer #19COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C15068.1Semi standard non polar33892256
Didymin,2TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C15029.8Semi standard non polar33892256
Didymin,2TMS,isomer #20COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C15086.1Semi standard non polar33892256
Didymin,2TMS,isomer #21COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C15099.1Semi standard non polar33892256
Didymin,2TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C15024.5Semi standard non polar33892256
Didymin,2TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C15049.3Semi standard non polar33892256
Didymin,2TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C15043.6Semi standard non polar33892256
Didymin,2TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C15062.7Semi standard non polar33892256
Didymin,2TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C15010.0Semi standard non polar33892256
Didymin,2TMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C15021.3Semi standard non polar33892256
Didymin,2TMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C14993.3Semi standard non polar33892256
Didymin,3TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14901.6Semi standard non polar33892256
Didymin,3TMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C14909.0Semi standard non polar33892256
Didymin,3TMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14871.1Semi standard non polar33892256
Didymin,3TMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14928.3Semi standard non polar33892256
Didymin,3TMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14930.4Semi standard non polar33892256
Didymin,3TMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14972.2Semi standard non polar33892256
Didymin,3TMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14955.4Semi standard non polar33892256
Didymin,3TMS,isomer #16COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14908.1Semi standard non polar33892256
Didymin,3TMS,isomer #17COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14878.6Semi standard non polar33892256
Didymin,3TMS,isomer #18COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14856.9Semi standard non polar33892256
Didymin,3TMS,isomer #19COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14892.0Semi standard non polar33892256
Didymin,3TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14925.4Semi standard non polar33892256
Didymin,3TMS,isomer #20COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C14908.8Semi standard non polar33892256
Didymin,3TMS,isomer #21COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14865.4Semi standard non polar33892256
Didymin,3TMS,isomer #22COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14918.1Semi standard non polar33892256
Didymin,3TMS,isomer #23COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14858.0Semi standard non polar33892256
Didymin,3TMS,isomer #24COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14900.8Semi standard non polar33892256
Didymin,3TMS,isomer #25COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14879.5Semi standard non polar33892256
Didymin,3TMS,isomer #26COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14919.4Semi standard non polar33892256
Didymin,3TMS,isomer #27COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14883.4Semi standard non polar33892256
Didymin,3TMS,isomer #28COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14948.2Semi standard non polar33892256
Didymin,3TMS,isomer #29COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14895.3Semi standard non polar33892256
Didymin,3TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14964.9Semi standard non polar33892256
Didymin,3TMS,isomer #30COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14944.7Semi standard non polar33892256
Didymin,3TMS,isomer #31COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14923.5Semi standard non polar33892256
Didymin,3TMS,isomer #32COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14945.3Semi standard non polar33892256
Didymin,3TMS,isomer #33COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C15003.3Semi standard non polar33892256
Didymin,3TMS,isomer #34COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C15012.4Semi standard non polar33892256
Didymin,3TMS,isomer #35COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14973.1Semi standard non polar33892256
Didymin,3TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14937.6Semi standard non polar33892256
Didymin,3TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14983.6Semi standard non polar33892256
Didymin,3TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C14921.6Semi standard non polar33892256
Didymin,3TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C14894.1Semi standard non polar33892256
Didymin,3TMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14853.0Semi standard non polar33892256
Didymin,3TMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14905.5Semi standard non polar33892256
Didymin,4TMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14793.0Semi standard non polar33892256
Didymin,4TMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14841.1Semi standard non polar33892256
Didymin,4TMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C14801.7Semi standard non polar33892256
Didymin,4TMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14752.0Semi standard non polar33892256
Didymin,4TMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14814.1Semi standard non polar33892256
Didymin,4TMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14750.7Semi standard non polar33892256
Didymin,4TMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14782.4Semi standard non polar33892256
Didymin,4TMS,isomer #16COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14769.5Semi standard non polar33892256
Didymin,4TMS,isomer #17COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14764.0Semi standard non polar33892256
Didymin,4TMS,isomer #18COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14804.2Semi standard non polar33892256
Didymin,4TMS,isomer #19COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14791.4Semi standard non polar33892256
Didymin,4TMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14765.3Semi standard non polar33892256
Didymin,4TMS,isomer #20COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14885.3Semi standard non polar33892256
Didymin,4TMS,isomer #21COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14756.4Semi standard non polar33892256
Didymin,4TMS,isomer #22COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14724.2Semi standard non polar33892256
Didymin,4TMS,isomer #23COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14764.7Semi standard non polar33892256
Didymin,4TMS,isomer #24COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14732.8Semi standard non polar33892256
Didymin,4TMS,isomer #25COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14765.3Semi standard non polar33892256
Didymin,4TMS,isomer #26COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14751.8Semi standard non polar33892256
Didymin,4TMS,isomer #27COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C14744.6Semi standard non polar33892256
Didymin,4TMS,isomer #28COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C14784.3Semi standard non polar33892256
Didymin,4TMS,isomer #29COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14764.6Semi standard non polar33892256
Didymin,4TMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14733.8Semi standard non polar33892256
Didymin,4TMS,isomer #30COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14792.6Semi standard non polar33892256
Didymin,4TMS,isomer #31COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14773.6Semi standard non polar33892256
Didymin,4TMS,isomer #32COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14809.8Semi standard non polar33892256
Didymin,4TMS,isomer #33COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14792.4Semi standard non polar33892256
Didymin,4TMS,isomer #34COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C14848.6Semi standard non polar33892256
Didymin,4TMS,isomer #35COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14886.9Semi standard non polar33892256
Didymin,4TMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14774.5Semi standard non polar33892256
Didymin,4TMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C14778.1Semi standard non polar33892256
Didymin,4TMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14745.1Semi standard non polar33892256
Didymin,4TMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14789.5Semi standard non polar33892256
Didymin,4TMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C14820.6Semi standard non polar33892256
Didymin,4TMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C14857.5Semi standard non polar33892256
Didymin,1TBDMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C15403.3Semi standard non polar33892256
Didymin,1TBDMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C15369.7Semi standard non polar33892256
Didymin,1TBDMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C15364.5Semi standard non polar33892256
Didymin,1TBDMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C15387.8Semi standard non polar33892256
Didymin,1TBDMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C15410.9Semi standard non polar33892256
Didymin,1TBDMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C15410.3Semi standard non polar33892256
Didymin,1TBDMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15392.2Semi standard non polar33892256
Didymin,2TBDMS,isomer #1COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15513.5Semi standard non polar33892256
Didymin,2TBDMS,isomer #10COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C15452.2Semi standard non polar33892256
Didymin,2TBDMS,isomer #11COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C15454.5Semi standard non polar33892256
Didymin,2TBDMS,isomer #12COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15468.7Semi standard non polar33892256
Didymin,2TBDMS,isomer #13COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C15446.0Semi standard non polar33892256
Didymin,2TBDMS,isomer #14COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C15452.3Semi standard non polar33892256
Didymin,2TBDMS,isomer #15COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C15463.7Semi standard non polar33892256
Didymin,2TBDMS,isomer #16COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15503.3Semi standard non polar33892256
Didymin,2TBDMS,isomer #17COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C15514.5Semi standard non polar33892256
Didymin,2TBDMS,isomer #18COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C15534.1Semi standard non polar33892256
Didymin,2TBDMS,isomer #19COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15509.0Semi standard non polar33892256
Didymin,2TBDMS,isomer #2COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C15487.9Semi standard non polar33892256
Didymin,2TBDMS,isomer #20COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C15519.4Semi standard non polar33892256
Didymin,2TBDMS,isomer #21COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15519.0Semi standard non polar33892256
Didymin,2TBDMS,isomer #3COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C15474.3Semi standard non polar33892256
Didymin,2TBDMS,isomer #4COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C15493.4Semi standard non polar33892256
Didymin,2TBDMS,isomer #5COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C15497.8Semi standard non polar33892256
Didymin,2TBDMS,isomer #6COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C15505.4Semi standard non polar33892256
Didymin,2TBDMS,isomer #7COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C15473.3Semi standard non polar33892256
Didymin,2TBDMS,isomer #8COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C15470.5Semi standard non polar33892256
Didymin,2TBDMS,isomer #9COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C15451.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-7441290000-f19672e569568260db562017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (1 TMS) - 70eV, Positivesplash10-0002-7331009000-0b3592e4fad946f7ac5a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS ("Didymin,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Didymin 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 - Didymin 6V, Positive-QTOFsplash10-0006-0020090000-df259aa1ee3ac7a168c82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-0gw0-0980000000-790679bf779cba9ced562021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-01p9-0970000000-e3355972d2b8c61ce5772021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-0006-0030090000-b187714caacb9f9052402021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-0006-0020090000-c7879eacbbc115d0eed82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000i-0091000000-3f8892e2b54749ab03cd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000j-0391510000-410c70eec25b11be2f6f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000i-0090030000-3275be6998913475f1652021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000i-0090030000-660ec55a6ec2498df0fd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000i-0090030000-801701c80fb905c4cee52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000i-0091000000-7937ca316fe65aa840232021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-01p9-0980000000-392d15f02ab2f6777f772021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Didymin 6V, Positive-QTOFsplash10-000j-0391410000-c0b98af134a46b6617872021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 10V, Positive-QTOFsplash10-002s-0290260000-87e824e7ff71cf49eccf2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 20V, Positive-QTOFsplash10-000i-0390100000-e833b7ae36c4c6aabdb42015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 40V, Positive-QTOFsplash10-0f79-0960000000-f3a1b2db7e551bbabb152015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 10V, Negative-QTOFsplash10-000f-3490380000-4d255fb7584ab38781052015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 20V, Negative-QTOFsplash10-000i-2590110000-49d0f437355f5323bdf92015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 40V, Negative-QTOFsplash10-00kr-2390000000-5e728be84d6bcb578e7d2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 10V, Positive-QTOFsplash10-000b-0080950000-1a2f0a20af4ac007f8a72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 20V, Positive-QTOFsplash10-000i-0190200000-68ab296ebd5cadb0e15c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 40V, Positive-QTOFsplash10-0f79-0890000000-899b343ebc9b1b5ac1f72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 10V, Negative-QTOFsplash10-0006-0030090000-d6a5cf4c786068643d092021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 20V, Negative-QTOFsplash10-000l-0190070000-2d35a20054000a9231ca2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Didymin 40V, Negative-QTOFsplash10-0f80-0970020000-e277effb9cf7acc7b4ea2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB000612
KNApSAcK IDC00008223
Chemspider ID77297
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85705
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1701111
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Hung JY, Hsu YL, Ko YC, Tsai YM, Yang CJ, Huang MS, Kuo PL: Didymin, a dietary flavonoid glycoside from citrus fruits, induces Fas-mediated apoptotic pathway in human non-small-cell lung cancer cells in vitro and in vivo. Lung Cancer. 2010 Jun;68(3):366-74. doi: 10.1016/j.lungcan.2009.08.013. Epub 2009 Sep 5. [PubMed:19733932 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .