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CHEBI:202188 - Hygrocin A

ChEBI IDCHEBI:202188
ChEBI NameHygrocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO8
Net Charge0
Average Mass509.555
Monoisotopic Mass509.20497
SMILESCCC1C=C[C@H](O)[C@H](C)OC(=O)/C(C)=C/CC(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C(=O)CC1)C2=O
InChIInChI=1S/C28H31NO8/c1-5-17-7-9-20(30)16(4)37-28(36)14(2)6-11-23(33)29-19-13-22(32)24-18(27(19)35)12-15(3)26(34)25(24)21(31)10-8-17/h6-7,9,12-13,16-17,20,30,34H,5,8,10-11H2,1-4H3,(H,29,33)/b9-7?,14-6+/t16-,17?,20-/m0/s1
InChIKeyZLKHATAJGWAFJX-ZIOKALIGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (16378365)
ChEBI Ontology
Outgoing Relation(s)
Hygrocin A (CHEBI:202188) is a azamacrocycle (CHEBI:52898)
Hygrocin A (CHEBI:202188) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(12S,13S,16E)-9-ethyl-4,12-dihydroxy-3,13,16-trimethyl-14-oxa-20-azatricyclo[19.3.1.05,24]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23,25-pentone