Dataset

Cyanidin-3-O-sambubioside-5-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR308842 contains the MS2 mass spectrum of Cyanidin-3-O-sambubioside-5-O-glucoside with the InChIkey OLBLWNPOURNBCY-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1
SMILES OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key OLBLWNPOURNBCY-UHFFFAOYSA-O
Molecular Formula [C32H39O20]+
Exact Mass 743.644 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308842
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:06.133575
MetadataModified 2024-01-11T20:41:06.314235
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
74976933 PubChem
HMDB0037980 Human Metabolome Database
60070527 NMRShiftDB
The data in this table is sourced from UniChem at EBI.