RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0137278
RefMet name	Hymenoflorin
Systematic name	(3aR,5R,5aR,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Synonyms	PubChem Synonyms
Exact mass	280.131075 (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	C15H20O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	69219 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C15H20O5/c1-8-5-11-10(15(19,7-16)13(18)20-11)6-14(2)9(8)3-4-12(14)17/h3-4,8-11,16,19H,5-7H2,1-2H3/t8-,9+,10+,11-,14+,15?/ m1/s1
InChIKey	CZSKPULURGIUQE-BOLSYAAGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H]1C[C@@H]2[C@H](C[C@@]3(C)[C@H]1C=CC3=O)C(CO)(C(=O)O2)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	C10 isoprenoids
Distribution of Hymenoflorin 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 Hymenoflorin
External Links
Pubchem CID	442262
ChEBI ID	5824
KEGG ID	C09480
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)