BC 01_C2 (CHEBI:206496)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	BC 01_C2

ChEBI ID	CHEBI:206496

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H41NO5

Net Charge

Average Mass

411.583

Monoisotopic Mass

411.29847

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

SMILES

O=C1C2C(C3CCC(C(C3C1)C(O)C(C(COCO)C)C)C)CCC(C2CN)O

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	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