Atlantinone B (CHEBI:225611)

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CHEBI:225611 - Atlantinone B

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ChEBI ID	CHEBI:225611
ChEBI Name	Atlantinone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H34O7
Net Charge	0
Average Mass	458.551
Monoisotopic Mass	458.23045
SMILES	COC(=O)[C@@]12C(=O)[C@](C)(O)C(=O)[C@]1(C)C(C)=C[C@H]1[C@@]34CC[C@H](OC3=O)C(C)(C)[C@H]4CC[C@@]12C
InChI	InChI=1S/C26H34O7/c1-13-12-15-22(4,10-8-14-21(2,3)16-9-11-25(14,15)19(29)33-16)26(20(30)32-7)18(28)24(6,31)17(27)23(13,26)5/h12,14-16,31H,8-11H2,1-7H3/t14-,15-,16+,22+,23+,24-,25+,26-/m1/s1
InChIKey	UPJBUABBBFMLGN-OICYUSCNSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (20450206)

ChEBI Ontology

Outgoing Relation(s)
	Atlantinone B (CHEBI:225611) is a 19-oxo steroid (CHEBI:38149)

IUPAC Name
methyl (1S,2R,5R,7R,9R,10S,13R,15S)-7-hydroxy-4,5,7,10,14,14-hexamethyl-6,8,17-trioxo-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadec-3-ene-9-carboxylate