EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218721 - Dumulmycin

ChEBI IDCHEBI:218721
ChEBI NameDumulmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O8
Net Charge0
Average Mass572.739
Monoisotopic Mass572.33492
SMILESCCCC(=O)CC[C@H](C)[C@H]1OC(=O)C/C=C(\C)[C@H](O)/C=C(C)/C=C/[C@H]2C(C)=C(O)C(=O)[C@@H]2/C=C\[C@H](O)C[C@H](O)[C@H]1C
InChIInChI=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
InChIKeyZXSSCBKIZOGDCJ-GECBTDGCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33885319)
ChEBI Ontology
Outgoing Relation(s)
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