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CHEBI:198174 - Fellutanine D

ChEBI IDCHEBI:198174
ChEBI NameFellutanine D
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SubmitterMetaboLights
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FormulaC32H36N4O4
Net Charge0
Average Mass540.664
Monoisotopic Mass540.27366
SMILESC=CC(C)(C)[C@@]12Nc3ccccc3[C@]1(O)C[C@H]1C(=O)N3[C@H](C[C@]4(O)c5ccccc5N[C@]34C(C)(C)C=C)C(=O)N12
InChIInChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24+,29+,30-,31-,32+
InChIKeyCXDDBHFLLPBKRS-LXLBRPCYSA-N
Species of MetaboliteComponentSourceComments
Penicillium fellutanum (ncbitaxon:70095) - PubMed (10843594)
ChEBI Ontology
Outgoing Relation(s)
Fellutanine D (CHEBI:198174) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,12S,14R,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione
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8590358ChemSpider