Acaulone B (CHEBI:216875)

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CHEBI:216875 - Acaulone B

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ChEBI ID	CHEBI:216875
ChEBI Name	Acaulone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H24O7
Net Charge	0
Average Mass	364.394
Monoisotopic Mass	364.15220
SMILES	CC1=CC(=O)C[C@@H]2C(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O[C@@H](C)CCC(=O)[C@@H]12
InChI	InChI=1S/C19H24O7/c1-10-8-13(20)9-14-18(10)16(22)5-4-11(2)25-17(23)7-6-15(21)12(3)26-19(14)24/h6-8,11-12,14-15,18,21H,4-5,9H2,1-3H3/b7-6+/t11-,12-,14-,15+,18-/m0/s1
InChIKey	XNLJWOTZIXOLJQ-KVHQKDPHSA-N

Species of Metabolite	Component	Source	Comments
Acaulium (ncbitaxon:1960041)	-	PubMed (29376657)

ChEBI Ontology

Outgoing Relation(s)
	Acaulone B (CHEBI:216875) is a macrolide (CHEBI:25106)

IUPAC Name
(1S,4S,5R,6E,10S,14R)-5-hydroxy-4,10,15-trimethyl-3,9-dioxabicyclo[12.4.0]octadeca-6,15-diene-2,8,13,17-tetrone

Manual Xrefs	Databases
78439892	ChemSpider