Dataset

Ginsenoside Rc

This MassBank record with Accession MSBNK-RIKEN-PR307536 contains the MS2 mass spectrum of Ginsenoside Rc with the InChIkey JDCPEKQWFDWQLI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3
SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C
InChI Key JDCPEKQWFDWQLI-UHFFFAOYSA-N
Molecular Formula C53H90O22
Exact Mass 1079.281 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-PR307536
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:49:33.696623
MetadataModified 2025-02-09T18:38:13.621378
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
538586 eMolecules
91809 ChEBI
HMDB0034995 Human Metabolome Database
MTBLC91809 Metabolights
11021-14-0 ACToR
PD056173 ProbesDrugs
60074245 NMRShiftDB
LSM-1713 LINCS
100018 PubChem
The data in this table is sourced from UniChem at EBI.