CHEBI:226550 - Nigrosirpexin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nigrosirpexin D
ChEBI ID CHEBI:226550
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O4
Net Charge 0
Average Mass 296.407
Monoisotopic Mass 296.19876
InChI InChI=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
InChIKey NBTANDMIWGMISO-JPYFCXBMSA-N
SMILES O=C(OCC1=C2[C@H]([C@@H](C)C[C@@H]([C@@H]1CO)O)CC(C2)(C)C)C
Metabolite of Species Details
Irpex lacteus (NCBI:txid5319) See: PubMed
ChEBI Ontology
Outgoing 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