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CHEBI:199657 - Orbiocrellin B

ChEBI IDCHEBI:199657
ChEBI NameOrbiocrellin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NO5
Net Charge0
Average Mass331.368
Monoisotopic Mass331.14197
SMILESCC1CCC(C)C(c2c(O)c(-c3ccc(O)cc3)cn(O)c2=O)O1
InChIInChI=1S/C18H21NO5/c1-10-3-4-11(2)24-17(10)15-16(21)14(9-19(23)18(15)22)12-5-7-13(20)8-6-12/h5-11,17,20-21,23H,3-4H2,1-2H3
InChIKeyORMNRAZSZQTNIQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Orbiocrella (ncbitaxon:1105339) - DOI (10.1016/j.tet.2014.10.029)
ChEBI Ontology
Outgoing Relation(s)
Orbiocrellin B (CHEBI:199657) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-(3,6-dimethyloxan-2-yl)-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
Manual XrefsDatabases
78443920ChemSpider