Dataset

Kaempferol-3-O-glucoside-6''-p-coumaroyl

This MassBank record with Accession MSBNK-RIKEN-PR302885 contains the MS2 mass spectrum of Kaempferol-3-O-glucoside-6''-p-coumaroyl with the InChIkey DVGGLGXQSFURLP-VWMSDXGPSA-N.

Chemical Info

InChI	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
SMILES	O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H]1O
InChI Key	DVGGLGXQSFURLP-VWMSDXGPSA-N
Molecular Formula	C30H26O13
Exact Mass	594.525 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302885
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:43:12.117410
MetadataModified	2024-01-11T20:43:12.285535
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C17140	KEGG Ligand
CHEMBL266564	ChEMBL
5320686	PubChem
60024913	NMRShiftDB
PD082091	ProbesDrugs
LMPK12111791	LipidMaps
15359958	PubChem: Thomson Pharma
20316-62-5	ACToR
SCHEMBL23597	SureChEMBL
14862615	PubChem: Thomson Pharma
15M04TXR9M	FDA SRS
J15.510A	Nikkaji
J415.720F	Nikkaji
CB9169225	ChemicalBook
143461	Brenda
MTBLC80944	Metabolights
37678	Brenda
ZINC000017654711	ZINC
MCULE-6075035042	Mcule
TILIROSIDE	rxnorm
HY-N2443	MedChemExpress
80944	ChEBI
The data in this table is sourced from UniChem at EBI.