Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28563
Common Name:	Gibberellin A8
Systematic Name:	(1R,2R,5S,8S,9S,10R,12R,13S)-5,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
RefMet Name:	Gibberellin A8
Synonyms:	[PubChem Synonyms]
Exact Mass:	364.1522 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C19H24O7
InChIKey:	WZRRJZYYGOOHRC-UQJCXHNCSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C20 isoprenoids (diterpenes) [PR0104]
LIPID MAPS level4class:	Gibberellins [LMPR010417]
MoNA MS spectra:	View MS spectra
SMILES:	C=C1C[C@]23C[C@]1(CC[C@H]2[C@]12C[C@@H]([C@@H]([C@](C)([C@H]1[C@@H]3C(=O)O)C(=O)O2)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440051
LIPID MAPS ID:	LMPR0104170005
CHEBI ID:	28861
HMDB ID:	HMDB0303450
KEGG ID:	C03579
Plant Metabolite Hub(Pmhub):	MS000009901

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y