RefMet Compound Details

MW structure	69344 (View MW Metabolite Database details)
RefMet name	Euglobal Ia-1
Alternative name	Euglobal Ia1
Systematic name	6,8-dihydroxy-4a-methyl-9-(2-methylpropyl)-2-(propan-2-yl)-2,4a,9,9a-tetrahydro-1H-xanthene-5,7-dicarbaldehyde
SMILES	CC(C)C[C@@H]1C2CC(C=C[C@@]2(C)Oc2c(C=O)c(c(C=O)c(c12)O)O)C(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	386.209325 (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	C23H30O5	View other entries in RefMet with this formula
InChI	InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2, 1-5H3/t14?,15-,18?,23-/m1/s1
InChIKey	GCAXPYWXIWWHHT-BRDGIPKGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organoheterocyclic compounds
Main Class	Benzopyrans
Sub Class	1-Benzopyrans
Pubchem CID	118701397
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)