Dataset

Satratoxin H

This MassBank record with Accession MSBNK-AAFC-AC000607 contains the MS2 mass spectrum of Satratoxin H with the InChIkey MUACSCLQRGEGOE-MOCAONITSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4+,9-5+,19-13+/t18-,20?,21+,22+,25+,26+,27+,28-,29-/m0/s1
SMILES CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C/4\CCO[C@@]([C@@H]4O)(/C=C/C=C/C(=O)OC5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@H](C)O
InChI Key MUACSCLQRGEGOE-MOCAONITSA-N
Molecular Formula C29H36O9
Exact Mass 528.236 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-AAFC-AC000607
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:13.961802
MetadataModified 2024-01-11T09:22:14.141669
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
138853 ChEBI
70004091 NMRShiftDB
56928155 PubChem
The data in this table is sourced from UniChem at EBI.