Dataset

11-Hydroxy-Delta9-THC

This MassBank record with Accession MSBNK-Waters-WA000874 contains the MS mass spectrum of 11-Hydroxy-Delta9-THC with the InChIkey YCBKSSAWEUDACY-IAGOWNOFSA-N.

Chemical Info

molecular Image
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
SMILES CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(CO)2)C(C)(C)1
InChI Key YCBKSSAWEUDACY-IAGOWNOFSA-N
Molecular Formula C21H30O3
Exact Mass 330.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000874
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:18.237389
MetadataModified 2025-02-09T20:24:21.693079
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77270 ChEBI
644022 PubChem
84909 BindingDB
J113.237G Nikkaji
227859 Brenda
DTXSID50190061 EPA CompTox Dashboard
ZINC000002008394 ZINC
CHEMBL3229459 ChEMBL
85262212 PubChem: Thomson Pharma
9VY04N5SLB FDA SRS
PD057919 ProbesDrugs
124340321 PubChem: Thomson Pharma
29369558 eMolecules
MTBLC77270 Metabolights
HMDB0062581 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.