Dataset

Germbudine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301307 contains the MS2 mass spectrum of Germbudine with the InChIkey LWSPRPDSPCBAKK-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3
SMILES	CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(CC(O)C3C12O)C4(C)CCC5OC(=O)C(C)(O)C(C)O
InChI Key	LWSPRPDSPCBAKK-UHFFFAOYSA-N
Molecular Formula	C37H59NO12
Exact Mass	709.874 g/mol

Data and Resources

GermbudineHTML

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Related Molecule ⌄

[10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2,3-dihydroxy-2-methylbutanoate

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-PR301307
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	[10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2,3-dihydroxy-2-methylbutanoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60072652	NMRShiftDB
3818601	PubChem
The data in this table is sourced from UniChem at EBI.