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CHEBI:208040 - Penicipyrroether A

ChEBI IDCHEBI:208040
ChEBI NamePenicipyrroether A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO5
Net Charge0
Average Mass519.682
Monoisotopic Mass519.29847
SMILESCC1=C[C@]2(C)[C@H](C)O[C@@]3(O)C4=C[C@](O)(Cc5ccc(cc5)O[C@H]5[C@@H]([C@@H]1[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]51)[C@H]23)NC4=O
InChIInChI=1S/C32H41NO5/c1-16-11-17(2)25-26-23-24(30(25,6)12-16)18(3)13-29(5)19(4)38-32(36,27(23)29)22-15-31(35,33-28(22)34)14-20-7-9-21(37-26)10-8-20/h7-10,13,15-17,19,23-27,35-36H,11-12,14H2,1-6H3,(H,33,34)/t16-,17+,19+,23-,24-,25+,26+,27-,29-,30+,31-,32+/m1/s1
InChIKeyNNMAETBPGAMTQR-CWVLRPJJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31096582)
ChEBI Ontology
Outgoing Relation(s)
Penicipyrroether A (CHEBI:208040) is a azamacrocycle (CHEBI:52898)
Penicipyrroether A (CHEBI:208040) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,2R,3S,5R,7S,8S,11S,12S,14R,18R,25S,26R)-14,18-dihydroxy-3,5,7,9,11,12-hexamethyl-13,24-dioxa-17-azaheptacyclo[12.10.2.220,23.115,18.02,7.08,25.011,26]nonacosa-9,15(29),20,22,27-pentaen-16-one