Rhinomilisin C (CHEBI:223904)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223904 - Rhinomilisin C

Take structure to advanced search

ChEBI ID	CHEBI:223904
ChEBI Name	Rhinomilisin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H25ClO6
Net Charge	0
Average Mass	348.823
Monoisotopic Mass	348.13397
SMILES	COC(=O)/C(=C/[C@@H]1[C@@H](C(C)C)CC[C@@](O)(CCl)[C@H]1C(=O)O)CO
InChI	InChI=1S/C16H25ClO6/c1-9(2)11-4-5-16(22,8-17)13(14(19)20)12(11)6-10(7-18)15(21)23-3/h6,9,11-13,18,22H,4-5,7-8H2,1-3H3,(H,19,20)/b10-6+/t11-,12-,13-,16-/m1/s1
InChIKey	SBUNCVPZQXOWKJ-WDZSVEBTSA-N

Species of Metabolite	Component	Source	Comments
Rhinocladiella similis (ncbitaxon:319420)	-	PubMed (31044595)

ChEBI Ontology

Outgoing Relation(s)
	Rhinomilisin C (CHEBI:223904) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,2S,5R,6S)-2-(chloromethyl)-2-hydroxy-6-[(E)-2-(hydroxymethyl)-3-methoxy-3-oxoprop-1-enyl]-5-propan-2-ylcyclohexane-1-carboxylic acid

Manual Xrefs	Databases
74832028	ChemSpider