CHEBI:224149 - Myrothecine F

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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 F
ChEBI ID CHEBI:224149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38O10
Net Charge 0
Average Mass 546.613
Monoisotopic Mass 546.24650
InChI InChI=1S/C29H38O10/c1-16(30)28-8-5-4-6-21(31)38-19-13-20-29(35)14-18-24(39-20)27(26(19,29)3,10-9-25(18,2)34)15-36-22(32)12-17(23(28)33)7-11-37-28/h4,6,12,18-20,23-24,33-35H,5,7-11,13-15H2,1-3H3/t18-,19+,20+,23-,24+,25-,26+,27+,28+,29-/m0/s1
InChIKey HGVKMRAJPCHSPC-XKVMYBEGSA-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)O)C(=O)C)C
Metabolite of Species Details
Paramyrothecium roridum (NCBI:txid1859971) See: PubMed
ChEBI Ontology
Outgoing Myrothecine F (CHEBI:224149) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2S,3R,10S,19R,22S,23S,24R,26R,29S)-10-acetyl-1,22,29-trihydroxy-2,22-dimethyl-4,11,17,25-tetraoxahexacyclo[21.3.1.13,26.110,14.02,19.019,24]nonacosa-6,14-diene-5,16-dione