Aurechinulin

Formula: C43H49N3O5
Molecular weight: 687.90
Smiles: CC1CC2(C(C=C1)C=CC3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)NC(=CC4=C(NC5=C4C=CC(=C5)CC=C(C)C)C(C)(C)C=C)C(=O)N2
Type: Indole dipeptide

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Aurechinulin

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Aurechinulin
First synonym: None
Synonyms: Aurechinulin,Aurechinuline,64838-15-9,2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-[(E)-2-[(3Z)-8-methyl-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-2,5-dioxo-1,4-diazaspiro[5.5]undec-9-en-11-yl]ethenyl]benzaldehyde

Smiles: CC1CC2(C(C=C1)C=CC3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)NC(=CC4=C(NC5=C4C=CC(=C5)CC=C(C)C)C(C)(C)C=C)C(=O)N2
Isomeric smiles: CC1CC2(C(C=C1)/C=C/C3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)N/C(=C\C4=C(NC5=C4C=CC(=C5)CC=C(C)C)C(C)(C)C=C)/C(=O)N2
Inchi: InChI=1S/C43H49N3O5/c1-9-42(7,8)39-33(31-18-14-28(13-10-25(2)3)20-35(31)44-39)22-36-40(50)46-43(41(51)45-36)23-27(6)12-16-30(43)17-19-32-34(24-47)38(49)29(21-37(32)48)15-11-26(4)5/h9-12,14,16-22,24,27,30,44,48-49H,1,13,15,23H2,2-8H3,(H,45,51)(H,46,50)/b19-17+,36-22-
Inchikey: DTORJNDWFNFRER-BPSKCCMSSA-N

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Fungi id	Species
86	Aspergillus amstelodami