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CHEBI:224559 - Paraherquamide G

ChEBI IDCHEBI:224559
ChEBI NameParaherquamide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESCN1C(=O)[C@@]23C[C@@H]4C1(CN2CC[C@@]3(C)O)C[C@@]1(C(=O)Nc2c1ccc1c2C=CC(C)(C)O1)C4(C)C
InChIInChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)/t19-,25+,26?,27+,28+/m0/s1
InChIKeyMLMCOAUMNMJPGN-LKVLCOJQSA-N
Species of MetaboliteComponentSourceComments
Penicillium charlesii (ncbitaxon:69767) - PubMed (2272915)
ChEBI Ontology
Outgoing Relation(s)
Paraherquamide G (CHEBI:224559) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3R,6'R,7'S,9'S)-6'-hydroxy-6',7,7,10',10',13'-hexamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,14'-dione