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CHEBI:68085 - 16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid

ChEBI IDCHEBI:68085
ChEBI Name16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid
Stars
ASCII Name16-alpha-D-mannopyranosyloxyisopimar-7-en-19-oic acid
DefinitionA diterpene glycoside that is isopimar-7-en-19-oic acid attached to a α-D-mannopyranosyloxy residue at position 16. It has been isolated from the fungus, Xylaria species.
Last Modified21 January 2014
DownloadsMolfile
FormulaC26H42O8
Net Charge0
Average Mass482.614
Monoisotopic Mass482.28797
SMILES[H][C@@]12CC=C3C[C@@](C)(CCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)CC[C@]3([H])[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C26H42O8/c1-24(11-12-33-22-21(30)20(29)19(28)17(14-27)34-22)10-7-16-15(13-24)5-6-18-25(16,2)8-4-9-26(18,3)23(31)32/h5,16-22,27-30H,4,6-14H2,1-3H3,(H,31,32)/t16-,17+,18+,19+,20-,21-,22-,24+,25+,26-/m0/s1
InChIKeyMHRXJYCBHPYIQC-XDCNHFSSSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (21428374) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) has functional parent α-D-mannose (CHEBI:28729)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) has parent hydride isopimarane (CHEBI:77046)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) has role fungal metabolite (CHEBI:76946)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) is a diterpene glycoside (CHEBI:71939)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) is a diterpenoid (CHEBI:23849)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) is a monocarboxylic acid (CHEBI:25384)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
(13α)-16-(α-D-mannopyranosyloxy)pimara-7-en-19-oic acid
Registry NumbersSources
Reaxys:20232460Reaxys
Citations