Asteltoxin F (CHEBI:205855)

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CHEBI:205855 - Asteltoxin F

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ChEBI ID	CHEBI:205855
ChEBI Name	Asteltoxin F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H34O9
Net Charge	0
Average Mass	502.560
Monoisotopic Mass	502.22028
SMILES	COC(=O)/C(C)=C/COc1cc(=O)oc(/C=C/C=C/C=C/C2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)c1C
InChI	InChI=1S/C27H34O9/c1-16(24(30)32-6)13-14-33-21-15-22(28)35-19(17(21)2)11-9-7-8-10-12-20-23(29)26(4)25(36-20)34-18(3)27(26,5)31/h7-13,15,18,20,23,25,29,31H,14H2,1-6H3/b8-7+,11-9+,12-10+,16-13+/t18-,20?,23+,25-,26+,27+/m1/s1
InChIKey	VYFFJGIOFZRTHR-IFXFVHNZSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies SCSIO XWS02F40 (ncbitaxon:1754195)	-	PubMed (26712735)

ChEBI Ontology

Outgoing Relation(s)
	Asteltoxin F (CHEBI:205855) is a furofuran (CHEBI:47790)

IUPAC Name
methyl (E)-4-[2-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-3-methyl-6-oxopyran-4-yl]oxy-2-methylbut-2-enoate

Manual Xrefs	Databases
58196502	ChemSpider