Dataset

(3aR)-(+)-Sclareolide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80077 contains the MS mass spectrum of (3aR)-(+)-Sclareolide with the InChIkey IMKJGXCIJJXALX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3
SMILES CC1(CCCC2(C1CCC3(C2CC(=O)O3)C)C)C
InChI Key IMKJGXCIJJXALX-UHFFFAOYSA-N
Molecular Formula C16H26O2
Exact Mass 250.193 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80077
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:45.704313
MetadataModified 2024-01-11T22:24:45.875614
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J217.066C Nikkaji
BUNXAJ CCDC
1216-84-8 ACToR
564-20-5 ACToR
SCHEMBL1094480 SureChEMBL
PD056318 ProbesDrugs
14847720 PubChem: Thomson Pharma
HMDB0035293 Human Metabolome Database
61129 PubChem
MCULE-8539897246 Mcule
1219938 eMolecules
The data in this table is sourced from UniChem at EBI.