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CHEBI:205133 - Tyromycic acid E

ChEBI IDCHEBI:205133
ChEBI NameTyromycic acid E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O3
Net Charge0
Average Mass452.679
Monoisotopic Mass452.32905
SMILESC=C1C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC12
InChIInChI=1S/C30H44O3/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/h10-11,17-18,21,23,25-26,31H,3,8-9,12-16H2,1-2,4-7H3,(H,32,33)/b19-10-/t18-,21?,23?,25+,26+,29+,30-/m1/s1
InChIKeyTVNHXADCBUCSOP-RFBUSYHYSA-N
Species of MetaboliteComponentSourceComments
Pappia fissilis (ncbitaxon:1040649) - PubMed (14987050)
ChEBI Ontology
Outgoing Relation(s)
Tyromycic acid E (CHEBI:205133) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(Z,6R)-6-[(3S,4aR,6bR,11bS)-3-hydroxy-4,4,6b,11b-tetramethyl-10-methylidene-2,3,4a,5,7,8,9,10a-octahydro-1H-benzo[a]luoren-9-yl]-2-methylhept-2-enoic acid
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