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CHEBI:201599 - Chalcomycin A

ChEBI IDCHEBI:201599
ChEBI NameChalcomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O14
Net Charge0
Average Mass700.819
Monoisotopic Mass700.36701
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OCC2C(C)OC(=O)/C=C/C(C)C(O[C@H]3O[C@@H](C)C[C@@H](OC)[C@@H]3O)C(C)CC(C)(O)C(=O)/C=C/C3OC32)[C@@H]1OC
InChIInChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17?,18?,19-,20?,21+,22?,23?,24+,27+,28-,29?,30?,31+,32+,33+,34+,35?/m0/s1
InChIKeyKLGADJPDTCIJLO-JVECKAFRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1021/ja01067a047)
ChEBI Ontology
Outgoing Relation(s)
Chalcomycin A (CHEBI:201599) is a macrolide (CHEBI:25106)
IUPAC Name 
(6E,14E)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2R,3S,4R,6S)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
Manual XrefsDatabases
8970138ChemSpider