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CHEBI:219477 - Hygrocin D

ChEBI IDCHEBI:219477
ChEBI NameHygrocin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO8
Net Charge0
Average Mass509.555
Monoisotopic Mass509.20497
SMILESCC[C@@H]1C=C[C@H](O)[C@H](C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
InChIInChI=1S/C28H31NO8/c1-5-16-6-8-19(30)15(4)37-27(35)14(3)11-18-26(34)29-22-12-21(32)23-17(28(18,22)36)10-13(2)25(33)24(23)20(31)9-7-16/h6,8,10-12,15-16,18-19,30,33,36H,5,7,9H2,1-4H3,(H,29,34)/b8-6?,14-11-/t15-,16+,18+,19-,28-/m0/s1
InChIKeyNAKWTVLAAKACFD-CYYALUPPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LZ35 (ncbitaxon:1245024) - PubMed (24490633)
ChEBI Ontology
Outgoing Relation(s)
Hygrocin D (CHEBI:219477) is a azamacrocycle (CHEBI:52898)
Hygrocin D (CHEBI:219477) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(9S,12S,13S,16Z,18S,25R)-9-ethyl-4,12,25-trihydroxy-3,13,16-trimethyl-14-oxa-20-azatetracyclo[16.6.1.05,24.021,25]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone