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CHEBI:205363 - Penochalasin C

ChEBI IDCHEBI:205363
ChEBI NamePenochalasin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H35N3O3
Net Charge0
Average Mass509.650
Monoisotopic Mass509.26784
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@]23c2ccc(n2)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C32H35N3O3/c1-17-8-7-10-23-30(37)20(4)19(3)28-26(15-21-16-33-24-11-6-5-9-22(21)24)35-31(38)32(23,28)27-13-12-25(34-27)29(36)18(2)14-17/h5-7,9-14,16-17,19,23,26,28,30,33-34,37H,4,8,15H2,1-3H3,(H,35,38)/b10-7+,18-14+/t17-,19+,23-,26-,28-,30+,32+/m0/s1
InChIKeyCYRVQOQBMLPFPT-XJBGXHEWSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1039/p19960000239)
ChEBI Ontology
Outgoing Relation(s)
Penochalasin C (CHEBI:205363) is a azamacrocycle (CHEBI:52898)
Penochalasin C (CHEBI:205363) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2R,5S,6R,7S,9S,10R,11E,14S,15E)-9-hydroxy-5-(1H-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,15,18-tetraene-3,17-dione
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8499499ChemSpider