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CHEBI:220182 - Fornicatin E

ChEBI IDCHEBI:220182
ChEBI NameFornicatin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O6
Net Charge0
Average Mass474.638
Monoisotopic Mass474.29814
SMILESC=C(C)C1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C28H42O6/c1-16(2)19-14-20(29)25-24(26(19,4)12-11-22(31)32)21(30)15-28(6)18(10-13-27(25,28)5)17(3)8-9-23(33)34-7/h17-20,29H,1,8-15H2,2-7H3,(H,31,32)/t17-,18-,19?,20+,26+,27+,28-/m1/s1
InChIKeyXXRAHMQIWCNBKA-XZFWSZNQSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (24559087)
ChEBI Ontology
Outgoing Relation(s)
Fornicatin E (CHEBI:220182) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-[(3R,3aR,6S,9S,9bR)-9-hydroxy-3-[(2R)-5-methoxy-5-oxopentan-2-yl]-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
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