Emeridone D (CHEBI:225886)

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CHEBI:225886 - Emeridone D

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ChEBI ID	CHEBI:225886
ChEBI Name	Emeridone D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H30O6
Net Charge	0
Average Mass	426.509
Monoisotopic Mass	426.20424
SMILES	CC1(C)C(=O)C[C@@H]2O[C@H]3[C@@]4(O)[C@]2(C)[C@H]1CC[C@]41C[C@@]2(C)C=C4C(=O)OC[C@]41[C@]3(C)C2=O
InChI	InChI=1S/C25H30O6/c1-19(2)13-6-7-23-10-20(3)9-12-16(27)30-11-24(12,23)22(5,17(20)28)18-25(23,29)21(13,4)15(31-18)8-14(19)26/h9,13,15,18,29H,6-8,10-11H2,1-5H3/t13-,15-,18+,20+,21+,22+,23+,24+,25+/m0/s1
InChIKey	MOOWJEGUHAWQEU-CXILKDTBSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (30608689)

ChEBI Ontology

Outgoing Relation(s)
	Emeridone D (CHEBI:225886) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(1R,4R,8S,9R,10S,11R,12S,14S,20R)-10-hydroxy-5,5,9,12,14-pentamethyl-18,22-dioxaheptacyclo[12.6.1.18,11.01,10.04,9.012,20.016,20]docos-15-ene-6,13,17-trione