Mirabilene F isonitrile (CHEBI:212971)

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CHEBI:212971 - Mirabilene F isonitrile

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ChEBI ID	CHEBI:212971
ChEBI Name	Mirabilene F isonitrile
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H47NO5
Net Charge	0
Average Mass	465.675
Monoisotopic Mass	465.34542
SMILES	[C-]#[N+][C@@H](C)C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC)OC
InChI	InChI=1S/C27H47NO5/c1-11-12-23(29-6)16-24(30-7)17-25(31-8)18-26(32-9)19-27(33-10)21(3)15-20(2)13-14-22(4)28-5/h11,13,15,22-27H,1,12,14,16-19H2,2-4,6-10H3/b20-13+,21-15+/t22-,23-,24-,25-,26-,27-/m0/s1
InChIKey	ZPVKYVUDKSAXRS-GKAJUAEBSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Mirabilene F isonitrile (CHEBI:212971) is a isocyanide (CHEBI:35353)

IUPAC Name
(4S,6S,8S,10S,12S,13E,15E,18S)-18-isocyano-4,6,8,10,12-pentamethoxy-13,15-dimethylnonadeca-1,13,15-triene