Dataset

Furostane base -2H + 1O, O-Hex, O-Pen-dHex

This MassBank record with Accession MSBNK-RIKEN-PR308973 contains the MS2 mass spectrum of Furostane base -2H + 1O, O-Hex, O-Pen-dHex with the InChIkey HWYCRLFVQVFKPD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H72O18/c1-18(16-56-39-36(53)35(52)33(50)28(15-45)59-39)8-11-44(55)19(2)30-27(62-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)60-41-38(32(49)26(47)17-57-41)61-40-37(54)34(51)31(48)20(3)58-40/h6,18-20,22-41,45-55H,7-17H2,1-5H3
SMILES OCC8OC(OCC(C)CCC6(O)(OC5CC4C7CC=C3CC(O)CC(OC2OCC(O)C(O)C2(OC1OC(C)C(O)C(O)C1(O)))C3(C)C7(CCC4(C)C5C6(C))))C(O)C(O)C8(O)
InChI Key HWYCRLFVQVFKPD-UHFFFAOYSA-N
Molecular Formula C44H72O18
Exact Mass 889.042 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-PR308973
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:30:44.085578
MetadataModified 2025-02-09T18:31:41.836006
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
184050 ChEBI
HMDB0041051 Human Metabolome Database
4979367 PubChem
The data in this table is sourced from UniChem at EBI.