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CHEBI:226846 - Hamuramicin B

ChEBI IDCHEBI:226846
ChEBI NameHamuramicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O7
Net Charge0
Average Mass584.794
Monoisotopic Mass584.37130
SMILESCCCC(O)CC[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C/C=C/C=C/C=C/C(O)C(=O)/C(C)=C/C=C/C(C)=C/C(O)/C(C)=C/CC(=O)O1
InChIInChI=1S/C35H52O7/c1-7-14-29(36)21-19-27(5)34(40)28(6)32-18-12-10-8-9-11-17-30(37)35(41)26(4)16-13-15-24(2)23-31(38)25(3)20-22-33(39)42-32/h8-13,15-17,20,23,27-32,34,36-38,40H,7,14,18-19,21-22H2,1-6H3/b9-8+,12-10+,15-13+,17-11+,24-23+,25-20+,26-16+/t27-,28-,29?,30?,31?,32-,34-/m1/s1
InChIKeyQLZKMDGIDCWQSD-JXUMEYAQSA-N
Species of MetaboliteComponentSourceComments
Allostreptomyces (ncbitaxon:1914443) - PubMed (29691484)
ChEBI Ontology
Outgoing Relation(s)
Hamuramicin B (CHEBI:226846) is a macrolide (CHEBI:25106)
IUPAC Name 
(4E,7E,9E,11E,15E,17E,19E,22R)-22-[(2S,3R,4R)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
Manual XrefsDatabases
78445368ChemSpider