Dataset

Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS023309 contains the MS2 mass spectrum of Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4 with the InChIkey RSQSQJNRHICNNH-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
SMILES	CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O
InChI Key	RSQSQJNRHICNNH-UHFFFAOYSA-N
Molecular Formula	C19H24O5
Exact Mass	332.396 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS023309
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:46.550622
MetadataModified	2024-01-11T21:06:46.715791
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD036755	ProbesDrugs
622971	PubChem
SCHEMBL13018290	SureChEMBL
70129488	NMRShiftDB
HMDB0303447	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.