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CHEBI:223081 - Deoxypentalenylglucuron

ChEBI IDCHEBI:223081
ChEBI NameDeoxypentalenylglucuron
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O8
Net Charge0
Average Mass410.463
Monoisotopic Mass410.19407
SMILESC[C@@H]1CC[C@H]2C(C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)=C[C@@H]3CC(C)(C)C[C@@]132
InChIInChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9-,10-,12+,13+,14+,15+,16+,19+,21-/m1/s1
InChIKeyBFYOGFPGIVIQCC-UPUKJNKPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces omiyaensis (ncbitaxon:68247) - PubMed (6833143)
ChEBI Ontology
Outgoing Relation(s)
Deoxypentalenylglucuron (CHEBI:223081) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[(1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
78443056ChemSpider