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CHEBI:203283 - 15b-beta-methoxy-5-N-acetylardeemin

ChEBI IDCHEBI:203283
ChEBI Name15b-beta-methoxy-5-N-acetylardeemin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30N4O4
Net Charge0
Average Mass498.583
Monoisotopic Mass498.22671
SMILESC=CC(C)(C)[C@]12C[C@]3(OC)c4nc5ccccc5c(=O)n4[C@@H](C)C(=O)N3[C@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C29H30N4O4/c1-7-27(4,5)28-16-29(37-6)25-30-21-14-10-8-12-19(21)24(36)31(25)17(2)23(35)33(29)26(28)32(18(3)34)22-15-11-9-13-20(22)28/h7-15,17,26H,1,16H2,2-6H3/t17-,26+,28-,29-/m0/s1
InChIKeyJKIJFAKSQSUHJR-SAQMNMOHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25158286)
ChEBI Ontology
Outgoing Relation(s)
15b-beta-methoxy-5-N-acetylardeemin (CHEBI:203283) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,12S,15R,23S)-16-acetyl-1-methoxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
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34981426ChemSpider