Dataset

(S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS085910 contains the MS2 mass spectrum of (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man with the InChIkey OBKKEZLIABHSGY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
InChI Key	OBKKEZLIABHSGY-UHFFFAOYSA-N
Molecular Formula	C27H32O15
Exact Mass	596.538 g/mol

Data and Resources

(S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alp...HTML
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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-PS085910
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:30:43.755087
MetadataModified	2025-02-09T19:06:50.717263
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD119966	ProbesDrugs
4278576	PubChem
60022027	NMRShiftDB
HMDB0255521	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.