Dataset

Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS086706 contains the MS2 mass spectrum of Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside with the InChIkey HGUVPEBGCAVWID-UHFFFAOYSA-N.

Chemical Info

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	C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
InChI Key	HGUVPEBGCAVWID-UHFFFAOYSA-N
Molecular Formula	C27H30O15
Exact Mass	594.522 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS086706
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:39.154484
MetadataModified	2024-01-11T21:06:39.319412
MetadataPublished	2009-02-09

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.