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CHEBI:204113 - Hygrocin C

ChEBI IDCHEBI:204113
ChEBI NameHygrocin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO8
Net Charge0
Average Mass509.555
Monoisotopic Mass509.20497
SMILESCC[C@@H]1/C=C/[C@H](C(C)O)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(31)24-23-17(10-13(2)25(24)33)28(36)18(26(34)29-22(28)12-20(23)32)11-14(3)27(35)37-21(9-7-16)15(4)30/h7,9-12,15-16,18,21,30,33,36H,5-6,8H2,1-4H3,(H,29,34)/b9-7+,14-11-/t15?,16-,18-,21+,28-/m0/s1
InChIKeyPFWPLMVAUKIPIA-DLVYVWOQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (24490633)
ChEBI Ontology
Outgoing Relation(s)
Hygrocin C (CHEBI:204113) is a azamacrocycle (CHEBI:52898)
Hygrocin C (CHEBI:204113) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(9S,10E,12R,15Z,17R,24R)-9-ethyl-4,24-dihydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[15.6.1.05,23.020,24]tetracosa-1(23),2,4,10,15,20-hexaene-6,14,18,22-tetrone
Manual XrefsDatabases
31135848ChemSpider