Mirabilene A isonitrile (CHEBI:212944)

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CHEBI:212944 - Mirabilene A isonitrile

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ChEBI ID	CHEBI:212944
ChEBI Name	Mirabilene A isonitrile
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H41NO4
Net Charge	0
Average Mass	407.595
Monoisotopic Mass	407.30356
SMILES	[C-]#[N+][C@@H](C)C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC
InChI	InChI=1S/C24H41NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12,14,20-24H,1,11,13,15-17H2,2-4,6-9H3/b18-12+,19-14+/t20-,21-,22-,23-,24-/m0/s1
InChIKey	HLKNQLQCOZENND-GAAPUSCWSA-N

Species of Metabolite	Component	Source	Comments
Scytonema (ncbitaxon:1203)	-	DOI (10.1021/jo00301a041)

ChEBI Ontology

Outgoing Relation(s)
	Mirabilene A isonitrile (CHEBI:212944) is a isocyanide (CHEBI:35353)

IUPAC Name
(4S,6S,8S,10S,11E,13E,16S)-16-isocyano-4,6,8,10-tetramethoxy-11,13-dimethylheptadeca-1,11,13-triene