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CHEBI:201251 - Aigialospirol

ChEBI IDCHEBI:201251
ChEBI NameAigialospirol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O8
Net Charge0
Average Mass378.377
Monoisotopic Mass378.13147
SMILESCOc1cc(O)c2c(c1)[C@@H]([C@H]1C[C@H](O)[C@H](O)[C@@]3(C=CC[C@H](C)O3)O1)OC2=O
InChIInChI=1S/C19H22O8/c1-9-4-3-5-19(26-9)17(22)13(21)8-14(27-19)16-11-6-10(24-2)7-12(20)15(11)18(23)25-16/h3,5-7,9,13-14,16-17,20-22H,4,8H2,1-2H3/t9-,13-,14+,16-,17-,19+/m0/s1
InChIKeyXOJJZYZCRNGOFV-YLZOTCFESA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - PubMed (15043431)
ChEBI Ontology
Outgoing Relation(s)
Aigialospirol (CHEBI:201251) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-[(2R,4S,5S,6R,8S)-4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-7-hydroxy-5-methoxy-3H-2-benzouran-1-one
Manual XrefsDatabases
8266584ChemSpider