Dataset

7,8-Dihydroxy calonectrin

This MassBank record with Accession MSBNK-AAFC-AC000403 contains the MS2 mass spectrum of 7,8-Dihydroxy calonectrin with the InChIkey JSKXQQKSUOVSKS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
SMILES CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C
InChI Key JSKXQQKSUOVSKS-UHFFFAOYSA-N
Molecular Formula C19H26O8
Exact Mass 382.163 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-AAFC-AC000403
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:12.944340
MetadataModified 2024-01-11T09:22:13.121310
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
557474 PubChem
169114 ChEBI
HMDB0038916 Human Metabolome Database
15351178 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.