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CHEBI:221931 - Aranorosin

ChEBI IDCHEBI:221931
ChEBI NameAranorosin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO6
Net Charge0
Average Mass419.518
Monoisotopic Mass419.23079
SMILESCCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1O)[C@@H]1O[C@@H]1C(=O)[C@@H]1O[C@@H]12
InChIInChI=1S/C23H33NO6/c1-4-5-6-7-8-13(2)11-14(3)9-10-16(25)24-15-12-23(30-22(15)27)20-18(28-20)17(26)19-21(23)29-19/h9-11,13,15,18-22,27H,4-8,12H2,1-3H3,(H,24,25)/b10-9+,14-11+/t13-,15+,18-,19+,20-,21+,22-,23?/m1/s1
InChIKeyJHTWWPWUODMKEO-BPILEAOSSA-N
ChEBI Ontology
Outgoing Relation(s)
Aranorosin (CHEBI:221931) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2E,4E,6R)-N-[(1S,2'R,3R,3'S,5S,7R)-2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide
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