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CHEBI:226550 - Nigrosirpexin D

ChEBI IDCHEBI:226550
ChEBI NameNigrosirpexin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O4
Net Charge0
Average Mass296.407
Monoisotopic Mass296.19876
SMILESCC(=O)OCC1=C2CC(C)(C)C[C@H]2[C@@H](C)C[C@H](O)[C@@H]1CO
InChIInChI=1S/C17H28O4/c1-10-5-16(20)14(8-18)15(9-21-11(2)19)13-7-17(3,4)6-12(10)13/h10,12,14,16,18,20H,5-9H2,1-4H3/t10-,12-,14+,16-/m0/s1
InChIKeyNBTANDMIWGMISO-JPYFCXBMSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (32401511)
ChEBI Ontology
Outgoing Relation(s)
Nigrosirpexin D (CHEBI:226550) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(5S,6S,8S,8aS)-6-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-4-yl]methyl acetate