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CHEBI:201789 - Tricholomenyn D

ChEBI IDCHEBI:201789
ChEBI NameTricholomenyn D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O12
Net Charge0
Average Mass662.688
Monoisotopic Mass662.23633
SMILESC=C(C#CC1=C[C@@H](OC(C)=O)[C@H](O)[C@@H](OC(=O)/C(C)=C/CCC(=C)C#CC2=C[C@@H](OC(C)=O)[C@@H]3O[C@@H]3[C@H]2O)C1=O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C36H38O12/c1-19(9-7-11-21(3)35(42)43)13-15-25-17-27(45-23(5)37)31(41)33(29(25)39)48-36(44)22(4)12-8-10-20(2)14-16-26-18-28(46-24(6)38)32-34(47-32)30(26)40/h11-12,17-18,27-28,30-34,40-41H,1-2,7-10H2,3-6H3,(H,42,43)/b21-11+,22-12+/t27-,28-,30+,31+,32+,33+,34-/m1/s1
InChIKeyGAZUVLCZDHVQGW-LVVFCLEYSA-N
Species of MetaboliteComponentSourceComments
Tricholoma acerbum (ncbitaxon:181706) - DOI (10.1016/0040-4039(96)01329-9)
ChEBI Ontology
Outgoing Relation(s)
Tricholomenyn D (CHEBI:201789) has functional parent tetracarboxylic acid (CHEBI:35742)
Tricholomenyn D (CHEBI:201789) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(E)-8-[(3R,4S,5R)-3-acetyloxy-5-[(E)-8-[(1R,2S,5R,6S)-5-acetyloxy-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2-methyl-6-methylideneoct-2-en-7-ynoyl]oxy-4-hydroxy-6-oxocyclohexen-1-yl]-2-methyl-6-methylideneoct-2-en-7-ynoic acid
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