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CHEBI:199990 - Fusaequisin A

ChEBI IDCHEBI:199990
ChEBI NameFusaequisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCCCCC(C)C=CC=C(C)[C@H]1O[C@H](OC)[C@@H](C=C(C)C=CC(OC)C(C)C(C)=O)[C@@H]1C
InChIInChI=1S/C28H46O4/c1-10-11-13-19(2)14-12-15-21(4)27-23(6)25(28(31-9)32-27)18-20(3)16-17-26(30-8)22(5)24(7)29/h12,14-19,22-23,25-28H,10-11,13H2,1-9H3/t19?,22?,23-,25-,26?,27+,28-/m0/s1
InChIKeyYRVMEHJHUWJJNF-AJVMDNIJSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - DOI (10.5560/znb.2013-3014)
ChEBI Ontology
Outgoing Relation(s)
Fusaequisin A (CHEBI:199990) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-methoxy-8-[(2S,3S,4S,5S)-2-methoxy-4-methyl-5-(6-methyldeca-2,4-dien-2-yl)oxolan-3-yl]-3,7-dimethylocta-5,7-dien-2-one