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CHEBI:204083 - Fusarielin B

ChEBI IDCHEBI:204083
ChEBI NameFusarielin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O5
Net Charge0
Average Mass420.590
Monoisotopic Mass420.28757
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](O)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C25H40O5/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-26)18-11-20(27)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,26-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
InChIKeyNJULGUREPHOGBR-RGIDNKBKSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (7868388)
ChEBI Ontology
Outgoing Relation(s)
Fusarielin B (CHEBI:204083) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol
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