Dataset

11-Nor-9-carboxy-Delta9-THC

This MassBank record with Accession MSBNK-Waters-WA000872 contains the MS mass spectrum of 11-Nor-9-carboxy-Delta9-THC with the InChIkey YOVRGSHRZRJTLZ-HZPDHXFCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
SMILES CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(C(O)=O)2)C(C)(C)1
InChI Key YOVRGSHRZRJTLZ-HZPDHXFCSA-N
Molecular Formula C21H28O4
Exact Mass 344.199 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-WA000872
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:41:18.718411
MetadataModified 2025-02-09T20:23:41.260940
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77273 ChEBI
32457239 eMolecules
PD019630 ProbesDrugs
4TPC9E4A32 FDA SRS
SCHEMBL13587290 SureChEMBL
36759070 eMolecules
57904-08-2 ACToR
16196546 PubChem: Thomson Pharma
124340322 PubChem: Thomson Pharma
108207 PubChem
56354-06-4 ACToR
DTXSID20204907 EPA CompTox Dashboard
MTBLC77273 Metabolights
ZINC000002572326 ZINC
J356.101A Nikkaji
84885 BindingDB
CHEMBL3263381 ChEMBL
The data in this table is sourced from UniChem at EBI.