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CHEBI:199723 - Hygrocin G

ChEBI IDCHEBI:199723
ChEBI NameHygrocin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H29NO8
Net Charge0
Average Mass507.539
Monoisotopic Mass507.18932
SMILESCCC1C=C[C@H](C(C)O)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O
InChIInChI=1S/C28H29NO8/c1-5-15-6-8-17(31)21-20-16(12-13(2)24(21)33)25(34)23-22(26(20)35)28(4,11-10-19(32)29-23)27(36)37-18(9-7-15)14(3)30/h7,9-12,14-15,18,30,33H,5-6,8H2,1-4H3,(H,29,32)/t14?,15?,18-,28+/m1/s1
InChIKeyLTSASGAMBZVFMC-SOWJLAFLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24490633)
ChEBI Ontology
Outgoing Relation(s)
Hygrocin G (CHEBI:199723) is a azamacrocycle (CHEBI:52898)
Hygrocin G (CHEBI:199723) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(12R,15S)-9-ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone