Fusarielin H (CHEBI:219605)

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CHEBI:219605 - Fusarielin H

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ChEBI ID	CHEBI:219605
ChEBI Name	Fusarielin H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38O3
Net Charge	0
Average Mass	386.576
Monoisotopic Mass	386.28210
SMILES	C/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)CO)[C@@H]2CC=C(C)C[C@H]2[C@@H]2O[C@@]21C
InChI	InChI=1S/C25H38O3/c1-7-16(3)22-20(10-8-9-17(4)23(27)18(5)14-26)19-12-11-15(2)13-21(19)24-25(22,6)28-24/h7-11,18-24,26-27H,12-14H2,1-6H3/b10-8+,16-7+,17-9+/t18-,19-,20-,21+,22-,23+,24-,25+/m0/s1
InChIKey	IFASIJVLMUACLJ-OOAOULESSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Fusarielin H (CHEBI:219605) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
(2S,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]-2,4-dimethylhepta-4,6-diene-1,3-diol