CHEBI:224157 - Myrothecine G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Myrothecine G
ChEBI ID CHEBI:224157
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H40O11
Net Charge 0
Average Mass 588.650
Monoisotopic Mass 588.25706
InChI InChI=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
InChIKey UPHJDFQLLYYANZ-SWIUYUMBSA-N
SMILES O=C1OC[C@@]23[C@@]4([C@@]5(O)[C@H](O[C@@H]2[C@@H]([C@](O)(C)CC3)C5)C[C@H]4OC(=O)C=CCC[C@]6([C@@H](C(=C1)CCO6)OC(=O)C)C(=O)C)C
Metabolite of Species Details
Paramyrothecium roridum (NCBI:txid1859971) See: PubMed
ChEBI Ontology
Outgoing 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