Dataset

Furostane base + O-Hex, O-Hex-Hex-Hex

This MassBank record with Accession MSBNK-RIKEN-PR308993 contains the MS2 mass spectrum of Furostane base + O-Hex, O-Hex-Hex-Hex with the InChIkey OFEAYOYKIQKFSK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3
SMILES OCC9OC(OCC(C)CCC7(O)(OC6CC5C8CCC4CC(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))C(O)C3(O))CCC4(C)C8(CCC5(C)C6C7(C))))C(O)C(O)C9(O)
InChI Key OFEAYOYKIQKFSK-UHFFFAOYSA-N
Molecular Formula C51H86O24
Exact Mass 1083.225 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-PR308993
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:27:26.463574
MetadataModified 2025-02-09T18:32:06.712245
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
426059 PubChem
HMDB0034083 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.