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CHEBI:207254 - Myceliothermophin B

ChEBI IDCHEBI:207254
ChEBI NameMyceliothermophin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO3
Net Charge0
Average Mass413.602
Monoisotopic Mass413.29299
SMILESC/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@@](O)(CC(C)C)NC1=O
InChIInChI=1S/C26H39NO3/c1-8-17(5)21-18(6)13-25(7)12-16(4)9-10-20(25)22(21)23(28)19-14-26(30,11-15(2)3)27-24(19)29/h8,13-16,20-22,30H,9-12H2,1-7H3,(H,27,29)/b17-8+/t16-,20+,21-,22+,25+,26-/m0/s1
InChIKeyDNVVVGHIEYBFCF-MIXRSTDOSA-N
Species of MetaboliteComponentSourceComments
Thermothelomyces thermophilus (ncbitaxon:78579) - PubMed (17503417)
ChEBI Ontology
Outgoing Relation(s)
Myceliothermophin B (CHEBI:207254) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(5S)-3-[(1R,2S,4aS,6S,8aR)-2-[(E)-but-2-en-2-yl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-hydroxy-5-(2-methylpropyl)-1H-pyrrol-2-one
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78441275ChemSpider