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CHEBI:200692 - 17-epi-notoamide Q

ChEBI IDCHEBI:200692
ChEBI Name17-epi-notoamide Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O5
Net Charge0
Average Mass479.577
Monoisotopic Mass479.24202
SMILESC=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@]3(OC)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1
InChIInChI=1S/C27H33N3O5/c1-7-24(2,3)26(15-18-21(31)30-14-8-12-27(30,34-6)23(33)28-18)17-9-10-19-16(20(17)29-22(26)32)11-13-25(4,5)35-19/h7,9-11,13,18H,1,8,12,14-15H2,2-6H3,(H,28,33)(H,29,32)/t18-,26-,27-/m0/s1
InChIKeyOCKJJINPDXBXCN-OALGXETFSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (23527875)
ChEBI Ontology
Outgoing Relation(s)
17-epi-notoamide Q (CHEBI:200692) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aS)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-methoxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
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29419661ChemSpider