RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0137453
RefMet name	11-Hydroxy-delta9-THC
Alternative name	1-Hydroxytetrahydrocannabinol
Systematic name	11-Hydroxy-delta(9)-tetrahydrocannabinol
Synonyms	PubChem Synonyms
Exact mass	330.219495 (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	C21H30O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	73599 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16- ,17-/m1/s1
InChIKey	YCBKSSAWEUDACY-IAGOWNOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCc1cc(c2[C@@H]3C=C(CC[C@H]3C(C)(C)Oc2c1)CO)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Aromatic polyketides
Sub Class	Other aromatic polyketides
Distribution of 11-Hydroxy-delta9-THC 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 11-Hydroxy-delta9-THC
External Links
Pubchem CID	644022
ChEBI ID	77270
HMDB ID	HMDB0062581
Spectral data for 11-Hydroxy-delta9-THC standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)