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CHEBI:197588 - EH21A14

ChEBI IDCHEBI:197588
ChEBI NameEH21A14
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SubmitterMetaboLights
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FormulaC27H40N2O7
Net Charge0
Average Mass504.624
Monoisotopic Mass504.28355
SMILESCO[C@H]1C[C@H](C)Cc2cc(O)cc(c2)NC(=O)/C=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O
InChIInChI=1S/C27H40N2O7/c1-16-10-19-13-20(15-21(30)14-19)29-24(31)9-7-6-8-22(34-4)26(36-27(28)33)18(3)12-17(2)25(32)23(11-16)35-5/h7,9,12-17,22-23,25-26,30,32H,6,8,10-11H2,1-5H3,(H2,28,33)(H,29,31)/b9-7+,18-12+/t16-,17+,22+,23+,25-,26+/m1/s1
InChIKeyPSWCTDDGKOXOPF-WPNUPFKDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (18243703)
ChEBI Ontology
Outgoing Relation(s)
EH21A14 (CHEBI:197588) is a azamacrocycle (CHEBI:52898)
EH21A14 (CHEBI:197588) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,8S,9S,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-10,12,16-trimethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl] carbamate
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