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CHEBI:227308 - Peniciherquamide B

ChEBI IDCHEBI:227308
ChEBI NamePeniciherquamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O5
Net Charge0
Average Mass493.604
Monoisotopic Mass493.25767
SMILESCOC1=N[C@]23CN4CC[C@@](C)(O)[C@]14C[C@H]2C(C)(C)[C@@]1(C3)C(=O)Nc2c1ccc1c2C(=O)CC(C)(C)O1
InChIInChI=1S/C28H35N3O5/c1-23(2)11-16(32)19-17(36-23)8-7-15-20(19)29-21(33)27(15)13-26-14-31-10-9-25(5,34)28(31,22(30-26)35-6)12-18(26)24(27,3)4/h7-8,18,34H,9-14H2,1-6H3,(H,29,33)/t18-,25+,26+,27+,28-/m0/s1
InChIKeyAPFAPJLFMNNAGZ-ITKQZBBDSA-N
Species of MetaboliteComponentSourceComments
Penicillium herquei (ncbitaxon:69774) - PubMed (26848504)
ChEBI Ontology
Outgoing Relation(s)
Peniciherquamide B (CHEBI:227308) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,6'R,7'R,9'S)-6'-hydroxy-14'-methoxy-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-13-ene]-2,9-dione
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58923221ChemSpider