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CHEBI:203088 - Hygrocin F

ChEBI IDCHEBI:203088
ChEBI NameHygrocin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H31NO9
Net Charge0
Average Mass537.565
Monoisotopic Mass537.19988
SMILESCC[C@@H]1C=C[C@H]([C@@H](C)O)OC(=O)C(=O)C(C)=C[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
InChIInChI=1S/C29H31NO9/c1-5-16-6-8-19(32)24-23-17(10-13(2)25(24)34)29(38)18(27(36)30-22(29)12-20(23)33)11-14(3)26(35)28(37)39-21(9-7-16)15(4)31/h7,9-12,15-16,18,21,31,34,38H,5-6,8H2,1-4H3,(H,30,36)/t15-,16+,18+,21-,29+/m1/s1
InChIKeyWXYOJFGZCRSXDT-SECAHVEMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LZ35 (ncbitaxon:1245024) - PubMed (24490633)
ChEBI Ontology
Outgoing Relation(s)
Hygrocin F (CHEBI:203088) is a azamacrocycle (CHEBI:52898)
Hygrocin F (CHEBI:203088) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(9S,12R,18R,25R)-9-ethyl-4,25-dihydroxy-12-[(1R)-1-hydroxyethyl]-3,16-dimethyl-13-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,14,15,19,23-pentone