Sch 528647 (CHEBI:220806)

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CHEBI:220806 - Sch 528647

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ChEBI ID	CHEBI:220806
ChEBI Name	Sch 528647
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H34O6
Net Charge	0
Average Mass	442.552
Monoisotopic Mass	442.23554
SMILES	C=C1CC[C@@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)[C@@H](OC)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
InChI	InChI=1S/C26H34O6/c1-18(2)14-17-21-26(4,32-21)24-19(3)15-16-20(25(24)30-5)31-23(29)13-11-9-7-6-8-10-12-22(27)28/h6-14,20-21,24-25H,3,15-17H2,1-2,4-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t20-,21-,24+,25-,26+/m1/s1
InChIKey	OZEROECWNOAONO-JOOYSTLBSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus fumigatus (ncbitaxon:746128)	-	PubMed (11858666)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Sch 528647 (CHEBI:220806) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,6E,8E)-10-[(1R,2S,3S)-2-methoxy-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]oxy-10-oxodeca-2,4,6,8-tetraenoic acid

Manual Xrefs	Databases
78442874	ChemSpider