Fusarielin G (CHEBI:219616)

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CHEBI:219616 - Fusarielin G

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ChEBI ID	CHEBI:219616
ChEBI Name	Fusarielin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H36O4
Net Charge	0
Average Mass	400.559
Monoisotopic Mass	400.26136
SMILES	C/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O)[C@@H]2CC=C(C)C[C@H]2[C@@H]2O[C@@]21C
InChI	InChI=1S/C25H36O4/c1-7-15(3)21-19(10-8-9-16(4)22(26)17(5)24(27)28)18-12-11-14(2)13-20(18)23-25(21,6)29-23/h7-11,17-23,26H,12-13H2,1-6H3,(H,27,28)/b10-8+,15-7+,16-9+/t17-,18+,19+,20-,21+,22-,23+,25-/m1/s1
InChIKey	XJOCCPDTMHUETM-LMKFEWRQSA-N

Species of Metabolite	Component	Source	Comments
Fusarium graminearum (ncbitaxon:5518)	-	PubMed (22252016)

ChEBI Ontology

Outgoing Relation(s)
	Fusarielin G (CHEBI:219616) is a carbonyl compound (CHEBI:36586)

IUPAC Name
(2R,3S,4E,6E)-7-[(1aR,2R,3S,3aS,7aR,7bS)-2-[(E)-but-2-en-2-yl]-1a,6-dimethyl-3,3a,4,7,7a,7b-hexahydro-2H-naphtho[1,2-b]oxiren-3-yl]-3-hydroxy-2,4-dimethylhepta-4,6-dienoic acid