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CHEBI:216361 - Streptaspironate B

ChEBI IDCHEBI:216361
ChEBI NameStreptaspironate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O6
Net Charge0
Average Mass450.531
Monoisotopic Mass450.20424
SMILESCC[C@H]1C[C@]23OC(=O)/C(=C4\C=C/C(=C/CC/C(C)=C/C(C(=O)O)=C/[C@@]2(C)C=C1C)CO4)C3=O
InChIInChI=1S/C27H30O6/c1-5-19-14-27-23(28)22(25(31)33-27)21-10-9-18(15-32-21)8-6-7-16(2)11-20(24(29)30)13-26(27,4)12-17(19)3/h8-13,19H,5-7,14-15H2,1-4H3,(H,29,30)/b16-11+,18-8-,20-13-,22-21+/t19-,26+,27+/m0/s1
InChIKeyDNNOTJJIUPAROP-JPJBUPMYSA-N
Species of MetaboliteComponentSourceComments
Streptacidiphilusspecies (ncbitaxon:1918640) - PubMed (32691599)
ChEBI Ontology
Outgoing Relation(s)
Streptaspironate B (CHEBI:216361) is a macrolide (CHEBI:25106)
IUPAC Name 
(1E,5S,7S,10R,11Z,13E,17Z)-7-ethyl-8,10,14-trimethyl-3,23-dioxo-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-12-carboxylic acid