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CHEBI:214300 - Myrothecisin C

ChEBI IDCHEBI:214300
ChEBI NameMyrothecisin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(=O)O[C@H]1CC=C2[C@@H](CC[C@@H](C)[C@@]2(C)Cc2c(O)cc(CO)c(C=O)c2O)C1(C)C
InChIInChI=1S/C25H34O6/c1-14-6-7-19-20(8-9-22(24(19,3)4)31-15(2)28)25(14,5)11-17-21(29)10-16(12-26)18(13-27)23(17)30/h8,10,13-14,19,22,26,29-30H,6-7,9,11-12H2,1-5H3/t14-,19-,22+,25-/m1/s1
InChIKeyXULYKWDONUXBJD-JYMQEWJJSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies OUCMDZ-2784 (ncbitaxon:1440508) - PubMed (30275406)
ChEBI Ontology
Outgoing Relation(s)
Myrothecisin C (CHEBI:214300) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
[(2S,5R,6R,8aR)-5-[[3-ormyl-2,6-dihydroxy-4-(hydroxymethyl)phenyl]methyl]-1,1,5,6-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-2-yl] acetate
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71048915ChemSpider