Dataset

Ginsenoside Ro

This MassBank record with Accession MSBNK-RIKEN-PR308699 contains the MS2 mass spectrum of Ginsenoside Ro with the InChIkey NFZYDZXHKFHPGA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)
SMILES CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Key NFZYDZXHKFHPGA-UHFFFAOYSA-N
Molecular Formula C48H76O19
Exact Mass 957.117 g/mol

Data and Resources

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-PR308699
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:33.573822
MetadataModified 2024-01-11T20:42:33.735029
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0034534 Human Metabolome Database
PD065135 ProbesDrugs
60064583 NMRShiftDB
12302914 PubChem
The data in this table is sourced from UniChem at EBI.