Dataset

isorhamnetin-3-O-rutinoside, Narcissoside, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT204203 contains the MS2 mass spectrum of isorhamnetin-3-O-rutinoside, Narcissoside, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha with the InChIkey UIDGLYUNOUKLBM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
InChI Key UIDGLYUNOUKLBM-UHFFFAOYSA-N
Molecular Formula C28H32O16
Exact Mass 624.548 g/mol

Data and Resources

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-PT204203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:32.754434
MetadataModified 2024-01-11T21:07:32.917375
MetadataPublished 2008-07-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139417 ChEBI
HMDB0037746 Human Metabolome Database
6223069 PubChem
60024537 NMRShiftDB
PD117813 ProbesDrugs
The data in this table is sourced from UniChem at EBI.