Dataset

Orobole 7-O-Glucoside, Acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01630 contains the MS2 mass spectrum of Orobole 7-O-Glucoside, Acetate with the InChIkey WSMQBJMPWPNLTJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C35H34O18/c1-15(36)44-14-29-32(49-19(5)40)33(50-20(6)41)34(51-21(7)42)35(53-29)52-23-11-27-30(28(12-23)48-18(4)39)31(43)24(13-45-27)22-8-9-25(46-16(2)37)26(10-22)47-17(3)38/h8-13,29,32-35H,14H2,1-7H3
SMILES CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key WSMQBJMPWPNLTJ-UHFFFAOYSA-N
Molecular Formula C35H34O18
Exact Mass 742.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01630
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:38.952082
MetadataModified 2024-01-11T22:25:39.111598
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3349822 PubChem
MCULE-7139635545 Mcule
6352849 eMolecules
The data in this table is sourced from UniChem at EBI.