Neosetophomone B (CHEBI:209323)

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CHEBI:209323 - Neosetophomone B

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ChEBI ID	CHEBI:209323
ChEBI Name	Neosetophomone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32O4
Net Charge	0
Average Mass	384.516
Monoisotopic Mass	384.23006
SMILES	C/C1=C\CC(C)(C)/C=C/C[C@]2(C)Oc3cc(=O)c(O)cc(C)c3C[C@H]2C[C@@H]1O
InChI	InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6+,15-7+/t17-,19-,24-/m0/s1
InChIKey	REJAHZFROGUZPE-FYBPARGDSA-N

Species of Metabolite	Component	Source	Comments
Neosetophoma (ncbitaxon:798068)	-	PubMed (30620608)

ChEBI Ontology

Outgoing Relation(s)
	Neosetophomone B (CHEBI:209323) is a cyclic ketone (CHEBI:3992)

IUPAC Name
(1S,11S,13S,14E,18E)-6,13-dihydroxy-1,8,14,17,17-pentamethyl-2-oxatricyclo[9.9.0.03,9]icosa-3,6,8,14,18-pentaen-5-one