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CHEBI:224157 - Myrothecine G

ChEBI IDCHEBI:224157
ChEBI NameMyrothecine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40O11
Net Charge0
Average Mass588.650
Monoisotopic Mass588.25706
SMILESCC(=O)O[C@@H]1C2=CC(=O)OC[C@@]34CC[C@](C)(O)[C@H]5C[C@]6(O)[C@@H](C[C@@H](OC(=O)C=CCC[C@]1(C(C)=O)OCC2)[C@]36C)O[C@H]54
InChIInChI=1S/C31H40O11/c1-17(32)30-9-6-5-7-23(34)41-21-14-22-31(37)15-20-26(42-22)29(28(21,31)4,11-10-27(20,3)36)16-38-24(35)13-19(8-12-39-30)25(30)40-18(2)33/h5,7,13,20-22,25-26,36-37H,6,8-12,14-16H2,1-4H3/t20-,21+,22+,25+,26+,27-,28+,29+,30+,31-/m0/s1
InChIKeyUPHJDFQLLYYANZ-SWIUYUMBSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (31117520)
ChEBI Ontology
Outgoing Relation(s)
Myrothecine G (CHEBI:224157) is a macrolide (CHEBI:25106)
IUPAC Name 
[(1R,2S,3R,10S,19R,22S,23S,24R,26R,29R)-10-acetyl-1,22-dihydroxy-2,22-dimethyl-5,16-dioxo-4,11,17,25-tetraoxahexacyclo[21.3.1.13,26.110,14.02,19.019,24]nonacosa-6,14-dien-29-yl] acetate