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CHEBI:70048 - Xylopimarane

ChEBI IDCHEBI:70048
ChEBI NameXylopimarane
Stars
DefinitionA natural product found in Xylaria species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H36O8
Net Charge0
Average Mass464.555
Monoisotopic Mass464.24102
SMILESC=C[C@@]1(C)CCc2c3c(c(O)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2[C@H]1O)C(C)(C)CCC3
InChIInChI=1S/C25H36O8/c1-5-25(4)10-8-12-13-7-6-9-24(2,3)16(13)18(28)21(15(12)22(25)31)33-23-20(30)19(29)17(27)14(11-26)32-23/h5,14,17,19-20,22-23,26-31H,1,6-11H2,2-4H3/t14-,17-,19+,20-,22-,23-,25+/m1/s1
InChIKeyGQECNZJTMLRIAM-DWRPHZCTSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) mycelium (BTO:0001436) PubMed (21226484) Ethyl acetate extract of broth and mycelia, fungus isolated from an undefined dead wood Strain: BCC 4297
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Xylopimarane (CHEBI:70048) has role metabolite (CHEBI:25212)
Xylopimarane (CHEBI:70048) is a O-acyl carbohydrate (CHEBI:52782)
Synonym  Source
(7R,8S)-8,10-Dihydroxy-1,1,7-trimethyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenyl alpha-D-glucopyranosideChEBI
Citations