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CHEBI:205616 - Scedogiine D

ChEBI IDCHEBI:205616
ChEBI NameScedogiine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESCC(=O)OC[C@@]1(C)[C@@H]2[C@@H]3C(=CC(=O)[C@@H]3C)[C@@H](C)CC[C@@H]21
InChIInChI=1S/C17H24O3/c1-9-5-6-13-16(17(13,4)8-20-11(3)18)15-10(2)14(19)7-12(9)15/h7,9-10,13,15-16H,5-6,8H2,1-4H3/t9-,10-,13-,15-,16-,17+/m0/s1
InChIKeyBKWTZQWTCJJWCG-FQYDFXOBSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - DOI (10.1039/c6ra21142a)
ChEBI Ontology
Outgoing Relation(s)
Scedogiine D (CHEBI:205616) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1R,1aS,4S,7R,7aS,7bS)-1,4,7-trimethyl-6-oxo-2,3,4,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-1-yl]methyl acetate
Manual XrefsDatabases
60596871ChemSpider