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CHEBI:198357 - 16-alpha-D-glucopyranosyloxyisopimar-7-en-19-oic acid

ChEBI IDCHEBI:198357
ChEBI Name16-alpha-D-glucopyranosyloxyisopimar-7-en-19-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O8
Net Charge0
Average Mass482.614
Monoisotopic Mass482.28797
SMILESC[C@]1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)O)C1
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-MLGGFDNOSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - PubMed (19467682)
ChEBI Ontology
Outgoing Relation(s)
16-alpha-D-glucopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:198357) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1S,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Manual XrefsDatabases
78440721ChemSpider