Dataset

7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS042404 contains the MS2 mass spectrum of 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man with the InChIkey ZEJXENDZTYVXDP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChI Key	ZEJXENDZTYVXDP-UHFFFAOYSA-N
Molecular Formula	C27H30O15
Exact Mass	594.522 g/mol

Data and Resources

7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D...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-PS042404
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:36.420705
MetadataModified	2024-01-11T21:07:36.584270
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
70085581	NMRShiftDB
22178437	PubChem
PD150480	ProbesDrugs
The data in this table is sourced from UniChem at EBI.