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CHEBI:214262 - Myrothecine H

ChEBI IDCHEBI:214262
ChEBI NameMyrothecine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O9
Net Charge0
Average Mass528.598
Monoisotopic Mass528.23593
SMILESC=C1CC[C@@]23COC(=O)/C=C4/CCO[C@@](C(C)=O)(CC/C=C\C(=O)O[C@@H]5C[C@H]6O[C@@H]2[C@H]1C[C@@]6(O)[C@]53C)[C@@H]4O
InChIInChI=1S/C29H36O9/c1-16-7-10-27-15-35-23(32)12-18-8-11-36-28(17(2)30,24(18)33)9-5-4-6-22(31)37-20-13-21-29(34,26(20,27)3)14-19(16)25(27)38-21/h4,6,12,19-21,24-25,33-34H,1,5,7-11,13-15H2,2-3H3/b6-4-,18-12-/t19-,20+,21+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKeyVMSOOBKRIXKGTO-QOEVTPAHSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (33166597)
ChEBI Ontology
Outgoing Relation(s)
Myrothecine H (CHEBI:214262) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2S,3R,6Z,10S,14E,19R,23S,24R,26R,29R)-10-acetyl-1,29-dihydroxy-2-methyl-22-methylidene-4,11,17,25-tetraoxahexacyclo[21.3.1.13,26.110,14.02,19.019,24]nonacosa-6,14-diene-5,16-dione