Brevione K (CHEBI:227798)

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CHEBI:227798 - Brevione K

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ChEBI ID	CHEBI:227798
ChEBI Name	Brevione K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H30O5
Net Charge	0
Average Mass	434.532
Monoisotopic Mass	434.20932
SMILES	CC1=CC(=O)C=C[C@]2(C)[C@H]3C(=O)C=C(C)[C@@]4(Cc5c(c(C)c(C)oc5=O)O4)[C@]3(C)CC[C@@H]12
InChI	InChI=1S/C27H30O5/c1-14-11-18(28)7-9-25(5)20(14)8-10-26(6)23(25)21(29)12-15(2)27(26)13-19-22(32-27)16(3)17(4)31-24(19)30/h7,9,11-12,20,23H,8,10,13H2,1-6H3/t20-,23+,25-,26+,27-/m0/s1
InChIKey	QLGBMJAKRNXWHJ-QCYUWTFZSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies (ncbitaxon:5081)	-	PubMed (22412815)

ChEBI Ontology

Outgoing Relation(s)
	Brevione K (CHEBI:227798) is a pyranone (CHEBI:37963)

IUPAC Name
(2S,4'aR,6'aS,11'aS,11'bR)-3',4'a,6,7,7',11'a-hexamethylspiro[3H-uro[3,2-c]pyran-2,4'-5,6,6a,11b-tetrahydrocyclohepta[a]naphthalene]-1',4,9'-trione

Manual Xrefs	Databases
29214757	ChemSpider