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CHEBI:212159 - Hygrobafilomycin

ChEBI IDCHEBI:212159
ChEBI NameHygrobafilomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H60O12
Net Charge0
Average Mass756.930
Monoisotopic Mass756.40848
SMILESCO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)/C=C/C2=CC(=O)OC2=O)[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C42H60O12/c1-22(2)38-28(8)33(51-34(43)16-15-31-20-35(44)52-41(31)48)21-42(49,54-38)30(10)37(46)29(9)39-32(50-11)14-12-13-23(3)17-25(5)36(45)26(6)18-24(4)19-27(7)40(47)53-39/h12-16,18-20,22,25-26,28-30,32-33,36-39,45-46,49H,17,21H2,1-11H3/b14-12+,16-15+,23-13+,24-18+,27-19+/t25-,26+,28-,29-,30-,32-,33+,36-,37+,38+,39+,42+/m0/s1
InChIKeyNCGWSFZKZKXDRF-FBCDOOEFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces varsoviensis (ncbitaxon:67373) - PubMed (20551984)
ChEBI Ontology
Outgoing Relation(s)
Hygrobafilomycin (CHEBI:212159) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-3-(2,5-dioxouran-3-yl)prop-2-enoate