CHEBI:218721 - Dumulmycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dumulmycin
ChEBI ID CHEBI:218721
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H48O8
Net Charge 0
Average Mass 572.739
Monoisotopic Mass 572.33492
InChI InChI=1S/C33H48O8/c1-7-8-24(34)12-10-21(4)33-23(6)29(37)18-25(35)13-15-27-26(22(5)31(39)32(27)40)14-9-19(2)17-28(36)20(3)11-16-30(38)41-33/h9,11,13-15,17,21,23,25-29,33,35-37,39H,7-8,10,12,16,18H2,1-6H3/b14-9+,15-13-,19-17+,20-11+/t21-,23+,25-,26-,27+,28+,29-,33+/m0/s1
InChIKey ZXSSCBKIZOGDCJ-GECBTDGCSA-N
SMILES O=C1O[C@@H]([C@@H]([C@@H](O)C[C@@H](O)C=C[C@H]2C(=O)C(O)=C([C@@H]2C=CC(=C[C@H](C(=CC1)C)O)C)C)C)[C@H](CCC(=O)CCC)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Dumulmycin (CHEBI:218721) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2Z,4R,6S,7R,8R,12E,14R,15E,17E,19R)-4,6,14,21-tetrahydroxy-7,13,16,20-tetramethyl-8-[(2S)-5-oxooctan-2-yl]-9-oxabicyclo[17.3.0]docosa-2,12,15,17,20-pentaene-10,22-dione