UCA-1064-B (CHEBI:210653)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210653 - UCA-1064-B

Take structure to advanced search

ChEBI ID	CHEBI:210653
ChEBI Name	UCA-1064-B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H47NO
Net Charge	0
Average Mass	413.690
Monoisotopic Mass	413.36577
SMILES	CC(C)C(C)CC[C@@H](C)C1CCN=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1CC3
InChI	InChI=1S/C28H47NO/c1-18(2)19(3)7-8-20(4)24-13-16-29-26-23-10-9-21-17-22(30)11-14-27(21,5)25(23)12-15-28(24,26)6/h18-22,24,30H,7-17H2,1-6H3/t19?,20-,21?,22+,24?,27+,28-/m1/s1
InChIKey	LWJFCIUPNNRGOA-SUDLYSKJSA-N

Species of Metabolite	Component	Source	Comments
Wallemia sebi (ncbitaxon:148960)	-	PubMed (8407596)

ChEBI Ontology

Outgoing Relation(s)
	UCA-1064-B (CHEBI:210653) is a tetrahydropyridine (CHEBI:26921)

IUPAC Name
(8S,10aS,12aR)-1-[(2R)-5,6-dimethylheptan-2-yl]-10a,12a-dimethyl-1,2,3,5,6,6a,7,8,9,10,11,12-dodecahydronaphtho[1,2-h]quinolin-8-ol

Manual Xrefs	Databases
78444999	ChemSpider