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CHEBI:216696 - Aranorosinol A

ChEBI IDCHEBI:216696
ChEBI NameAranorosinol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO6
Net Charge0
Average Mass421.534
Monoisotopic Mass421.24644
SMILESCCCCCCC(C)/C=C(C)/C=C/C(=O)NC1CC2(OC1O)C1OC1C(O)C1OC12
InChIInChI=1S/C23H35NO6/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/h9-11,13,15,17-22,26-27H,4-8,12H2,1-3H3,(H,24,25)/b10-9+,14-11+
InChIKeyNDLASBSIMFTZFG-QDCWQMMGSA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - PubMed (1473986)
ChEBI Ontology
Outgoing Relation(s)
Aranorosinol A (CHEBI:216696) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2E,4E)-N-(2',6-dihydroxyspiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl)-4,6-dimethyldodeca-2,4-dienamide
Manual XrefsDatabases
8085738ChemSpider