RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138832
RefMet name	Artonol C
Systematic name	11,19,26-trihydroxy-7,7,21,21-tetramethyl-16-prop-1-en-2-yl-2,8,22-trioxahexacyclo[12.12.0.03,12.04,9.017,26.020,25]hexacosa-1(14),3(12),4(9),5,10,17(26),18,20(25),23-nonaen-13-one
Synonyms	PubChem Synonyms
Exact mass	500.183505 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C30H28O7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	24615 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C30H28O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5 ,6)37-28/h7-10,12,16,31-32,34H,1,11H2,2-6H3
InChIKey	JVLAUHJNDLMVDW-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C=C(C)C1Cc2c(=O)c3c(cc4c(C=CC(C)(C)O4)c3oc2c2c1c(c1c(C=CC(C)(C)O1)c2O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Flavones
Distribution of Artonol C in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Artonol C
External Links
Pubchem CID	10839101
LIPID MAPS	LMPK12111532
ChEBI ID	140147
HMDB ID	HMDB0030489
Chemspider ID	9014400
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)