4'-epi-Chaetomugilin A (CHEBI:201837)

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CHEBI:201837 - 4'-epi-Chaetomugilin A

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ChEBI ID	CHEBI:201837
ChEBI Name	4'-epi-Chaetomugilin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C23H27ClO7
Net Charge	0
Average Mass	450.915
Monoisotopic Mass	450.14453
SMILES	C[C@H](/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@@H]4C)[C@H]3C2=CO1)[C@@H](C)O
InChI	InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-29-14)17-18-21(27)30-13(4)11(2)23(18,28)31-22(17,5)20(26)19(15)24/h6-13,17-18,25,28H,1-5H3/b7-6+/t10-,11+,12-,13-,17-,18+,22+,23-/m1/s1
InChIKey	LNHWUFUMZSBRBY-RKSAXAETSA-N

Species of Metabolite	Component	Source	Comments
Chaetomium globosum (ncbitaxon:38033)	-	DOI (10.1002/hlca.200900272)

ChEBI Ontology

Outgoing Relation(s)
	4'-epi-Chaetomugilin A (CHEBI:201837) is a δ-lactone (CHEBI:18946)

IUPAC Name
(1S,10S,12R,13S,14R,17R)-8-chloro-12-hydroxy-5-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione

Manual Xrefs	Databases
27022526	ChemSpider