CHEBI:218085 - Nigirpexin E

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ChEBI Name Nigirpexin E
ChEBI ID CHEBI:218085
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O3
Net Charge 0
Average Mass 254.370
Monoisotopic Mass 254.18819
InChI InChI=1S/C15H26O3/c1-9-4-14(18)13(8-17)12(7-16)11-6-15(2,3)5-10(9)11/h9-10,13-14,16-18H,4-8H2,1-3H3/t9-,10-,13+,14-/m0/s1
InChIKey PJUHQEIKCZOLQE-ZNIXKSQXSA-N
SMILES O[C@@H]1[C@@H](C(=C2CC(C)(C)C[C@H]2[C@H](C1)C)CO)CO
Metabolite of Species Details
Irpex lacteus (NCBI:txid5319) See: PubMed
Irpex lacteus (NCBI:txid5319) See: PubMed
ChEBI Ontology
Outgoing Nigirpexin E (CHEBI:218085) is a secondary alcohol (CHEBI:35681)
IUPAC Names
(3aS,4S,6S,7S)-7,8-bis(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,5,6,7-hexahydro-1H-azulen-6-ol
(7S,8R,8aR)-7,8-dihydroxy-7-methyl-3-[(1E,3E)-penta-1,3-dienyl]-8,8a-dihydro-1H-isochromen-6-one