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CHEBI:198381 - Myceliothermophin C

ChEBI IDCHEBI:198381
ChEBI NameMyceliothermophin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO3
Net Charge0
Average Mass427.629
Monoisotopic Mass427.30864
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@@](CC(C)C)(OC)NC1=O
InChIInChI=1S/C27H41NO3/c1-9-18(5)22-19(6)14-26(7)13-17(4)10-11-21(26)23(22)24(29)20-15-27(31-8,12-16(2)3)28-25(20)30/h9,14-17,21-23H,10-13H2,1-8H3,(H,28,30)/b18-9+/t17-,21+,22-,23+,26+,27+/m0/s1
InChIKeyXLZMSDIJSDSYBH-UXVXRRHISA-N
Species of MetaboliteComponentSourceComments
Thermothelomyces thermophilus (ncbitaxon:78579) - PubMed (17503417)
ChEBI Ontology
Outgoing Relation(s)
Myceliothermophin C (CHEBI:198381) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(5R)-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-methoxy-5-(2-methylpropyl)-1H-pyrrol-2-one
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