Dataset

10-deacetylbaccatin (10-DAB)

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82391 contains the MS mass spectrum of 10-deacetylbaccatin (10-DAB) with the InChIkey YWLXLRUDGLRYDR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3
SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
InChI Key YWLXLRUDGLRYDR-UHFFFAOYSA-N
Molecular Formula C29H36O10
Exact Mass 544.231 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-BML82391
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:29.524326
MetadataModified 2024-01-11T22:25:29.696446
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1713307 ChEMBL
HMDB0244264 Human Metabolome Database
MCULE-2122815535 Mcule
714682 eMolecules
PD013811 ProbesDrugs
125001 PubChem
70020542 NMRShiftDB
32981-86-5 ACToR
92999-93-4 ACToR
SCHEMBL432541 SureChEMBL
The data in this table is sourced from UniChem at EBI.