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CHEBI:216939 - Tyromycic acid F

ChEBI IDCHEBI:216939
ChEBI NameTyromycic acid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O3
Net Charge0
Average Mass450.663
Monoisotopic Mass450.31340
SMILESC=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H]12
InChIInChI=1S/C30H42O3/c1-18(9-8-10-19(2)27(32)33)21-13-15-29(6)22-11-12-25-28(4,5)26(31)14-16-30(25,7)24(22)17-23(29)20(21)3/h10-11,17-18,21,23,25H,3,8-9,12-16H2,1-2,4-7H3,(H,32,33)/b19-10-/t18-,21-,23+,25+,29+,30-/m1/s1
InChIKeyYIZFTMPJTQVPGK-KNVDJFKXSA-N
Species of MetaboliteComponentSourceComments
Pappia fissilis (ncbitaxon:1040649) - PubMed (14646328)
ChEBI Ontology
Outgoing Relation(s)
Tyromycic acid F (CHEBI:216939) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(Z,6R)-6-[(4aR,6bR,9R,10aS,11bS)-4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1,2,4a,5,7,8,9,10a-octahydrobenzo[a]luoren-9-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
9341950ChemSpider