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CHEBI:212134 - Penochalasin I

ChEBI IDCHEBI:212134
ChEBI NamePenochalasin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O4
Net Charge0
Average Mass512.650
Monoisotopic Mass512.26751
SMILESC/C1=C\[C@@H](C)C/C=C/[C@H]2CC[C@@]3(C)c4nc5ccccc5c4C[C@@H]4NC(=O)[C@]2(C(=O)C=CC(=O)[C@@H]1O)[C@]43C
InChIInChI=1S/C32H36N2O4/c1-18-8-7-9-20-14-15-30(3)28-22(21-10-5-6-11-23(21)33-28)17-25-31(30,4)32(20,29(38)34-25)26(36)13-12-24(35)27(37)19(2)16-18/h5-7,9-13,16,18,20,25,27,33,37H,8,14-15,17H2,1-4H3,(H,34,38)/b9-7+,13-12?,19-16+/t18-,20-,25-,27+,30-,31+,32-/m0/s1
InChIKeyCNOXPHKUUAMNSN-VXHPOFCZSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (27690061)
ChEBI Ontology
Outgoing Relation(s)
Penochalasin I (CHEBI:212134) is a organic heterotetracyclic compound (CHEBI:38163)
Penochalasin I (CHEBI:212134) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1S,6R,7E,9S,11E,13R,16R,27S,30R)-6-hydroxy-7,9,16,30-tetramethyl-18,28-diazahexacyclo[14.13.1.01,13.017,25.019,24.027,30]triaconta-3,7,11,17(25),19,21,23-heptaene-2,5,29-trione