BC 01_C2 (CHEBI:206496)

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CHEBI:206496 - BC 01_C2

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ChEBI ID	CHEBI:206496
ChEBI Name	BC 01_C2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H41NO5
Net Charge	0
Average Mass	411.583
Monoisotopic Mass	411.29847
SMILES	CC(COCO)C(C)C(O)C1C(C)CCC2C3CCC(O)C(CN)C3C(=O)CC21
InChI	InChI=1S/C23H41NO5/c1-12-4-5-15-16-6-7-19(26)18(9-24)22(16)20(27)8-17(15)21(12)23(28)14(3)13(2)10-29-11-25/h12-19,21-23,25-26,28H,4-11,24H2,1-3H3
InChIKey	AFFNTHHWHDBPDH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (28401462)

ChEBI Ontology

Outgoing Relation(s)
	BC 01_C2 (CHEBI:206496) is a oxo steroid (CHEBI:35789)

IUPAC Name
8-(aminomethyl)-7-hydroxy-1-[1-hydroxy-4-(hydroxymethoxy)-2,3-dimethylbutyl]-2-methyl-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one

Manual Xrefs	Databases
62285068	ChemSpider