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CHEBI:210969 - Myrothecine C

ChEBI IDCHEBI:210969
ChEBI NameMyrothecine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O11
Net Charge0
Average Mass560.596
Monoisotopic Mass560.22576
SMILESCC12[C@H]3C[C@H]4OC5[C@H](CC41O)[C@@](C)(O)CC[C@@]52COC(=O)C=C1CCO[C@]2(CC/C=C\C(=O)O3)[C@@H]1OC(=O)[C@@H]2O
InChIInChI=1S/C29H36O11/c1-25(34)8-9-27-14-36-20(31)11-15-6-10-37-28(21(32)24(33)40-22(15)28)7-4-3-5-19(30)38-17-12-18-29(35,26(17,27)2)13-16(25)23(27)39-18/h3,5,11,16-18,21-23,32,34-35H,4,6-10,12-14H2,1-2H3/b5-3-,15-11?/t16-,17+,18+,21-,22+,23?,25-,26?,27+,28-,29?/m0/s1
InChIKeySEKPJWXEBCJPDB-FCGUCEQESA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (16673428)
ChEBI Ontology
Outgoing Relation(s)
Myrothecine C (CHEBI:210969) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,4Z,8R,11R,14S,15S,18R,24R,27R)-10,15,27-trihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.18,11.110,14.01,24.09,18.013,18]dotriaconta-4,22-diene-6,21,26-trione
Manual XrefsDatabases
78445539ChemSpider