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CHEBI:228226 - mangicdiene

ChEBI IDCHEBI:228226
ChEBI Namemangicdiene
Stars
DefinitionA sesterterpene synthesised by a terpene synthase from Fusarium graminearum.
Last Modified16 November 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@@]12CC[C@H](C)[C@@]13CC[C@H](C)C3=C[C@@]1(C)CC[C@](C)(CCC=C(C)C)[C@@]21[H]
InChIInChI=1S/C25H40/c1-17(2)8-7-12-23(5)14-15-24(6)16-21-18(3)11-13-25(21)19(4)9-10-20(25)22(23)24/h8,16,18-20,22H,7,9-15H2,1-6H3/t18-,19-,20-,22+,23-,24+,25-/m0/s1
InChIKeyGXADVMWFZQPEDX-PHNLQQBUSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
mangicdiene (CHEBI:228226) has role fungal metabolite (CHEBI:76946)
mangicdiene (CHEBI:228226) is a carbotetracyclic compound (CHEBI:177332)
mangicdiene (CHEBI:228226) is a polycyclic olefin (CHEBI:35714)
mangicdiene (CHEBI:228226) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(3S,3aS,6S,7aR,10S,10aR,10bS)-3,6,7a,10-tetramethyl-10-(4-methylpent-3-en-1-yl)-1,2,3,4,5,6,7a,8,9,10,10a,10b-dodecahydrocyclopenta[d]-s-indacene
Citations