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CHEBI:208252 - Seco-milbemycin A

ChEBI IDCHEBI:208252
ChEBI NameSeco-milbemycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O6
Net Charge0
Average Mass554.768
Monoisotopic Mass554.36074
SMILESCCC[C@H](C)[C@@H](CC)O[C@]1(C)C[C@@H](O)C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C2\COC(=O)c3cc(C)c(O)cc32)O1
InChIInChI=1S/C34H50O6/c1-8-11-24(5)32(9-2)40-34(7)20-27(35)18-28(39-34)15-14-23(4)16-22(3)12-10-13-26-21-38-33(37)30-17-25(6)31(36)19-29(26)30/h10,12-14,17,19,22,24,27-28,32,35-36H,8-9,11,15-16,18,20-21H2,1-7H3/b12-10+,23-14+,26-13+/t22-,24-,27-,28+,32+,34+/m0/s1
InChIKeyLOBDTACTUUQCPP-ZYXFBGQVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces bingchenggensis (ncbitaxon:379067) - PubMed (18305356)
ChEBI Ontology
Outgoing Relation(s)
Seco-milbemycin A (CHEBI:208252) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(4Z)-6-hydroxy-4-[(2E,4R,6E)-8-[(2R,4S,6R)-4-hydroxy-6-methyl-6-[(3R,4S)-4-methylheptan-3-yl]oxyoxan-2-yl]-4,6-dimethylocta-2,6-dienylidene]-7-methylisochromen-1-one
Manual XrefsDatabases
78437360ChemSpider