RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135372
RefMet name	Gibberellin A8
Systematic name	(1R,2R,5S,8S,9S,10R,11R,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
Synonyms	PubChem Synonyms
Exact mass	364.152205 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C19H24O7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	28563 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3, (H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1
InChIKey	WZRRJZYYGOOHRC-UQJCXHNCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
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 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	C20 isoprenoids
Distribution of Gibberellin A8 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Gibberellin A8
External Links
Pubchem CID	440051
LIPID MAPS	LMPR0104170005
ChEBI ID	28861
KEGG ID	C03579
HMDB ID	HMDB0303450
Spectral data for Gibberellin A8 standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)