Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:48:58 UTC
Update Date2022-03-07 02:55:24 UTC
HMDB IDHMDB0037565
Secondary Accession Numbers
  • HMDB37565
Metabolite Identification
Common NameArtenolide
DescriptionArtenolide belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Artenolide is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, artenolide has been detected, but not quantified in, alcoholic beverages and herbs and spices. This could make artenolide a potential biomarker for the consumption of these foods.
Structure
Data?1563863052
SynonymsNot Available
Chemical FormulaC30H40O8
Average Molecular Weight528.6338
Monoisotopic Molecular Weight528.272318256
IUPAC Name(3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethyl-3a,4,5,6,8,9,9a,9b-octahydro-2H-4'-oxaspiro[azuleno[4,5-b]furan-3,13'-tetracyclo[10.2.1.0²,¹¹.0³,⁷]pentadecan]-2'(11')-ene-2,5'-dione
Traditional Name(3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethyl-3a,4,5,8,9a,9b-hexahydro-4'-oxaspiro[azuleno[4,5-b]furan-3,13'-tetracyclo[10.2.1.0²,¹¹.0³,⁷]pentadecan]-2'(11')-ene-2,5'-dione
CAS Registry Number113807-34-4
SMILES
C[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O
InChI Identifier
InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1
InChI KeyINWDFSUZZFAFBJ-HXCFRXSLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassGamma butyrolactones
Direct ParentGamma butyrolactones
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point163 - 174 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.18 g/LALOGPS
logP1.92ALOGPS
logP0.62ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)13.24ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area133.52 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity136.78 m³·mol⁻¹ChemAxon
Polarizability56.76 ųChemAxon
Number of Rings7ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+225.830932474
DeepCCS[M-H]-223.90430932474
DeepCCS[M-2H]-257.35630932474
DeepCCS[M+Na]+231.58730932474
AllCCS[M+H]+221.032859911
AllCCS[M+H-H2O]+219.632859911
AllCCS[M+NH4]+222.332859911
AllCCS[M+Na]+222.732859911
AllCCS[M-H]-220.232859911
AllCCS[M+Na-2H]-222.232859911
AllCCS[M+HCOO]-224.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ArtenolideC[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O4156.0Standard polar33892256
ArtenolideC[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O3746.3Standard non polar33892256
ArtenolideC[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O4399.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Artenolide,1TMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]124013.0Semi standard non polar33892256
Artenolide,1TMS,isomer #2C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]124027.3Semi standard non polar33892256
Artenolide,1TMS,isomer #3C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O)C(C)(O)CC[C@H]43)[C@@](C)(O)CC[C@@H]124036.6Semi standard non polar33892256
Artenolide,1TMS,isomer #4C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O)CC[C@@H]124010.0Semi standard non polar33892256
Artenolide,2TMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123973.0Semi standard non polar33892256
Artenolide,2TMS,isomer #2C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123949.0Semi standard non polar33892256
Artenolide,2TMS,isomer #3C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123981.2Semi standard non polar33892256
Artenolide,2TMS,isomer #4C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]124009.9Semi standard non polar33892256
Artenolide,2TMS,isomer #5C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]123988.2Semi standard non polar33892256
Artenolide,2TMS,isomer #6C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O[Si](C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O)CC[C@@H]123970.5Semi standard non polar33892256
Artenolide,3TMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O[Si](C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123898.2Semi standard non polar33892256
Artenolide,3TMS,isomer #2C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123949.0Semi standard non polar33892256
Artenolide,3TMS,isomer #3C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123930.9Semi standard non polar33892256
Artenolide,3TMS,isomer #4C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O[Si](C)(C)C)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]123938.1Semi standard non polar33892256
Artenolide,4TMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C)C5(C)O[Si](C)(C)C)C(C)(O[Si](C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C)CC[C@@H]123879.9Semi standard non polar33892256
Artenolide,1TBDMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124237.1Semi standard non polar33892256
Artenolide,1TBDMS,isomer #2C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]124249.5Semi standard non polar33892256
Artenolide,1TBDMS,isomer #3C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O)C(C)(O)CC[C@H]43)[C@@](C)(O)CC[C@@H]124257.2Semi standard non polar33892256
Artenolide,1TBDMS,isomer #4C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O)CC[C@@H]124227.2Semi standard non polar33892256
Artenolide,2TBDMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124420.1Semi standard non polar33892256
Artenolide,2TBDMS,isomer #2C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124395.1Semi standard non polar33892256
Artenolide,2TBDMS,isomer #3C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124430.8Semi standard non polar33892256
Artenolide,2TBDMS,isomer #4C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]124455.7Semi standard non polar33892256
Artenolide,2TBDMS,isomer #5C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]124435.0Semi standard non polar33892256
Artenolide,2TBDMS,isomer #6C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O)CC[C@@H]124415.6Semi standard non polar33892256
Artenolide,3TBDMS,isomer #1C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124567.0Semi standard non polar33892256
Artenolide,3TBDMS,isomer #2C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124616.1Semi standard non polar33892256
Artenolide,3TBDMS,isomer #3C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O[Si](C)(C)C(C)(C)C)CC[C@@H]124596.2Semi standard non polar33892256
Artenolide,3TBDMS,isomer #4C[C@@H]1C(=O)O[C@@H]2C3=C(C4CC3(C)CC43C(=O)O[C@@H]4C5C(=CC(O[Si](C)(C)C(C)(C)C)C5(C)O[Si](C)(C)C(C)(C)C)C(C)(O[Si](C)(C)C(C)(C)C)CC[C@H]43)[C@@](C)(O)CC[C@@H]124613.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (Non-derivatized) - 70eV, Positivesplash10-03e9-2542960000-e0654ebd9aabaa6cc9fd2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (2 TMS) - 70eV, Positivesplash10-0a4i-1142319000-88ca1ae018b7c90acb632017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Artenolide GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 10V, Positive-QTOFsplash10-03dl-0000790000-254a5a0d94f09a8b8a312016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 20V, Positive-QTOFsplash10-01pc-0000920000-405763960f7e143657922016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 40V, Positive-QTOFsplash10-0fkj-0490800000-8b31ccfdc0f94966950a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 10V, Negative-QTOFsplash10-0059-0000590000-284c858ca84a8c6da2d92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 20V, Negative-QTOFsplash10-0a7i-0000960000-5cee860ce5b34f9a2dc92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 40V, Negative-QTOFsplash10-000j-0031900000-409221c0f8056b3989f32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 10V, Negative-QTOFsplash10-004i-0000190000-530a2616fd547564c7642021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 20V, Negative-QTOFsplash10-004i-0000290000-253bfa45a9e250240a472021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 40V, Negative-QTOFsplash10-056r-0300890000-020c71a02fd4ec8970702021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 10V, Positive-QTOFsplash10-01tc-0000490000-2d79a9dba67f085203372021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 20V, Positive-QTOFsplash10-0929-0102950000-5f9ecd9972ed1129ecf42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Artenolide 40V, Positive-QTOFsplash10-014r-1198400000-6ab4da09a7e055d31d042021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016649
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752206
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .