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CHEBI:201277 - Fusarielin A

ChEBI IDCHEBI:201277
ChEBI NameFusarielin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)CO)[C@@H]2C[C@@H]3O[C@]3(C)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C25H38O4/c1-7-14(2)21-17(10-8-9-15(3)22(27)16(4)13-26)18-11-20-24(5,28-20)12-19(18)23-25(21,6)29-23/h7-10,16-23,26-27H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+/m0/s1
InChIKeyLRMWKBJDHOHUEZ-HCZQMODJSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (7868388)
ChEBI Ontology
Outgoing Relation(s)
Fusarielin A (CHEBI:201277) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2S,3S,4E,6E)-7-[(1R,2S,4R,5R,6S,7S,9S,11R)-5-[(E)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.02,4.09,11]dodecan-6-yl]-2,4-dimethylhepta-4,6-diene-1,3-diol
Manual XrefsDatabases
8629169ChemSpider