RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0128476
RefMet name	12a-Hydroxyerythynone
Systematic name	14-hydroxy-10,17,18-trimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-one
Synonyms	PubChem Synonyms
Exact mass	440.147120 (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	C24H24O8	View other entries in RefMet with this formula
Molecular descriptors
Molfile	22696 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C24H24O8/c1-23(2)7-6-12-20-13(8-18(29-5)21(12)32-23)22(25)24(26)14-9-16(27-3)17(28-4)10-15(14)30-11-19(24)31-20/h6-10,19, 26H,11H2,1-5H3
InChIKey	VSSFKDAMVNYAEJ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC1(C)C=Cc2c3c(cc(c2O1)OC)C(=O)C1(c2cc(c(cc2OCC1O3)OC)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Rotenoids
Distribution of 12a-Hydroxyerythynone 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 12a-Hydroxyerythynone
External Links
Pubchem CID	14704461
LIPID MAPS	LMPK12060050
ChEBI ID	166648
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)