CHEBI:211804 - Roquefortine G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Roquefortine G
ChEBI ID CHEBI:211804
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H35N5O4
Net Charge 0
Average Mass 517.630
Monoisotopic Mass 517.26890
InChI InChI=1S/C29H35N5O4/c1-8-26(3,4)28-16-29(38-7)25(37)32-22(13-19-15-33(17-30-19)27(5,6)14-18(2)35)23(36)34(29)24(28)31-21-12-10-9-11-20(21)28/h8-13,15,17,24,31H,1,14,16H2,2-7H3,(H,32,37)/b22-13+/t24-,28+,29+/m0/s1
InChIKey RULJMCDOZJZMNB-ZZXIHXDTSA-N
SMILES O=C/1N2[C@](OC)(C(=O)N\C1=C\C=3N=CN(C3)C(CC(=O)C)(C)C)C[C@@]4([C@H]2NC=5C=CC=CC45)C(C=C)(C)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Roquefortine G (CHEBI:211804) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4E,7R,9R)-7-methoxy-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
78437452 ChemSpider
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