Berkedrimane A (CHEBI:219503)

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CHEBI:219503 - Berkedrimane A

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ChEBI ID	CHEBI:219503
ChEBI Name	Berkedrimane A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H33NO5
Net Charge	0
Average Mass	391.508
Monoisotopic Mass	391.23587
SMILES	CC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@@]12C)C(C)C
InChI	InChI=1S/C22H33NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h7,12,15-18H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,18-,22+/m0/s1
InChIKey	HZCZALMQVYCUGC-CXJSAQCFSA-N

Species of Metabolite	Component	Source	Comments
Penicillium solitum (ncbitaxon:60172)	-	PubMed (22276851)

ChEBI Ontology

Outgoing Relation(s)
	Berkedrimane A (CHEBI:219503) is a naphthofuran (CHEBI:39270)

IUPAC Name
[(5aS,9S,9aS,9bR)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-9-yl] (2S)-2-acetamido-3-methylbutanoate

Manual Xrefs	Databases
26333270	ChemSpider