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CHEBI:227206 - 40-hydroxy oligomycin B

ChEBI IDCHEBI:227206
ChEBI Name40-hydroxy oligomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H72O13
Net Charge0
Average Mass821.058
Monoisotopic Mass820.49729
SMILESCC[C@H]1/C=C/C=C/C[C@@H](CO)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@@H]2[C@H](C)[C@H](CC1)O[C@@]1(O[C@@H](C[C@@H](C)O)[C@@H](C)CC1=O)[C@H]2C
InChIInChI=1S/C45H72O13/c1-11-32-15-13-12-14-16-33(23-46)43(54)44(10,55)42(53)30(8)40(52)29(7)39(51)28(6)38(50)24(2)17-20-37(49)56-41-27(5)34(19-18-32)57-45(31(41)9)36(48)21-25(3)35(58-45)22-26(4)47/h12-15,17,20,24-35,38,40-41,43,46-47,50,52,54-55H,11,16,18-19,21-23H2,1-10H3/b14-12+,15-13+,20-17+/t24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,43-,44-,45+/m0/s1
InChIKeyYOZZPIPXUJKGKJ-LTXUUYMMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26565618)
ChEBI Ontology
Outgoing Relation(s)
40-hydroxy oligomycin B (CHEBI:227206) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16S,18E,20E,22R,25S,27S,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-16-(hydroxymethyl)-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,28,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone