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CHEBI:206851 - Ecteinamycin

ChEBI IDCHEBI:206851
ChEBI NameEcteinamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O12
Net Charge0
Average Mass708.886
Monoisotopic Mass708.40848
SMILESC=C1OC(=O)C(C(=O)C[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H](CC)C(=O)[C@@](C)(O)[C@H]3CC[C@](CC)([C@H]4CC[C@@](O)([C@H](C)OC)[C@@H](C)O4)O3)[C@@H](C)C[C@@H]2C)=C1O
InChIInChI=1S/C38H60O12/c1-11-25(31(40)21(5)33-20(4)17-19(3)27(49-33)18-26(39)30-32(41)22(6)47-35(30)43)34(42)36(9,44)28-13-15-37(12-2,50-28)29-14-16-38(45,23(7)46-10)24(8)48-29/h19-21,23-25,27-29,31,33,40-41,44-45H,6,11-18H2,1-5,7-10H3/t19-,20-,21-,23-,24+,25-,27-,28+,29+,31-,33+,36-,37+,38+/m0/s1
InChIKeyVHHFSLSWGFTWTE-TVVYDJKWSA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies (ncbitaxon:1989) - PubMed (28708379)
ChEBI Ontology
Outgoing Relation(s)
Ecteinamycin (CHEBI:206851) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
3-[2-[(2S,3S,5S,6R)-6-[(2S,3S,4S,6S)-4-ethyl-6-[(2R,5R)-5-ethyl-5-[(2R,5R,6R)-5-hydroxy-5-[(1S)-1-methoxyethyl]-6-methyloxan-2-yl]oxolan-2-yl]-3,6-dihydroxy-5-oxoheptan-2-yl]-3,5-dimethyloxan-2-yl]acetyl]-4-hydroxy-5-methylideneuran-2-one
Manual XrefsDatabases
62453214ChemSpider