Chenopodolin (CHEBI:212198)

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CHEBI:212198 - Chenopodolin

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ChEBI ID	CHEBI:212198
ChEBI Name	Chenopodolin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H30O8
Net Charge	0
Average Mass	446.496
Monoisotopic Mass	446.19407
SMILES	C=C[C@]1(C)CC2=CC(=O)[C@@H]3[C@]4(C)C(=O)O[C@@H]([C@H]4O)[C@@H](OC(C)=O)[C@@]3(C)[C@@H]2C[C@@H]1OC(C)=O
InChI	InChI=1S/C24H30O8/c1-7-22(4)10-13-8-15(27)18-23(5,14(13)9-16(22)30-11(2)25)20(31-12(3)26)17-19(28)24(18,6)21(29)32-17/h7-8,14,16-20,28H,1,9-10H2,2-6H3/t14-,16+,17+,18+,19-,20-,22-,23+,24+/m1/s1
InChIKey	LIOQTLKMMDOYDZ-RHMXXYPNSA-N

Species of Metabolite	Component	Source	Comments
Phoma (ncbitaxon:37463)	-	PubMed (23786488)

ChEBI Ontology

Outgoing Relation(s)
	Chenopodolin (CHEBI:212198) is a carbonyl compound (CHEBI:36586)

IUPAC Name
[(1S,2S,7S,8S,10R,11S,12S,13S,16S)-12-acetyloxy-7-ethenyl-16-hydroxy-1,7,11-trimethyl-3,15-dioxo-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-4-en-8-yl] acetate

Manual Xrefs	Databases
29784867	ChemSpider