Dataset

Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS084907 contains the MS2 mass spectrum of Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P with the InChIkey QUQPHWDTPGMPEX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI Key QUQPHWDTPGMPEX-UHFFFAOYSA-N
Molecular Formula C28H34O15
Exact Mass 610.565 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-PS084907
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:49.630280
MetadataModified 2024-01-11T21:07:49.799294
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
731588 eMolecules
CHEMBL1535112 ChEMBL
MCULE-2306135710 Mcule
SCHEMBL765367 SureChEMBL
60022024 NMRShiftDB
PD055341 ProbesDrugs
520-26-3 ACToR
3594 PubChem
The data in this table is sourced from UniChem at EBI.