Dataset

Apigenin-6-C-glucoside-7-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR309297 contains the MS2 mass spectrum of Apigenin-6-C-glucoside-7-O-glucoside with the InChIkey HGUVPEBGCAVWID-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2
SMILES O=C2C=C(OC=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=C(O)C2=3)C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5
InChI Key HGUVPEBGCAVWID-UHFFFAOYSA-N
Molecular Formula C27H30O15
Exact Mass 594.522 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-PR309297
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:48.401447
MetadataModified 2024-01-11T20:40:48.555663
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL15689917 SureChEMBL
HMDB0257484 Human Metabolome Database
PD165997 ProbesDrugs
80002664 NMRShiftDB
4636593 PubChem
The data in this table is sourced from UniChem at EBI.