Dataset

1,9-dideoxyforskolin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82367 contains the MS mass spectrum of 1,9-dideoxyforskolin with the InChIkey ZKZMDXUDDJYAIB-SUCLLAFCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18-,20-,21+,22-/m0/s1
SMILES CC(=O)O[C@H]1[C@H]([C@@H]2[C@](CCCC2(C)C)([C@@H]3[C@@]1(O[C@@](CC3=O)(C)C=C)C)C)O
InChI Key ZKZMDXUDDJYAIB-SUCLLAFCSA-N
Molecular Formula C22H34O5
Exact Mass 378.241 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-BML82367
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:32.546997
MetadataModified 2024-01-11T22:25:32.712946
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL519570 ChEMBL
50295 ChEBI
30488033 eMolecules
4100 Guide to Pharmacology
SCHEMBL905267 SureChEMBL
OAW710HWIX FDA SRS
107948 PubChem
70021403 NMRShiftDB
16882599 PubChem: Thomson Pharma
1,9 dideoxy forskolin Atlas
64657-18-7 ACToR
PD047365 ProbesDrugs
DTXSID5040384 EPA CompTox Dashboard
ZINC000001319840 ZINC
LMPR0104030009 LipidMaps
MTBLC50295 Metabolights
The data in this table is sourced from UniChem at EBI.