CHEBI:207026 - Gartryprostatin B

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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 Gartryprostatin B
ChEBI ID CHEBI:207026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H31N3O6
Net Charge 0
Average Mass 481.549
Monoisotopic Mass 481.22129
InChI InChI=1S/C26H31N3O6/c1-22(2)10-8-14-17(34-22)7-6-15-19(14)27-26-23(3,4)18(13-30)35-24(15,26)12-16-20(31)28-11-5-9-25(28,33)21(32)29(16)26/h6-8,10,16,18,27,30,33H,5,9,11-13H2,1-4H3/t16-,18+,24+,25+,26-/m0/s1
InChIKey NWGFWOCPCGSAFK-NKSHKIKBSA-N
SMILES O=C1N2[C@]34NC=5C6=C(OC(C)(C)C=C6)C=CC5[C@]3(O[C@@H](C4(C)C)CO)C[C@H]2C(=O)N7[C@@]1(O)CCC7
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Gartryprostatin B (CHEBI:207026) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1R,13S,16R,22S,25S)-16-hydroxy-25-(hydroxymethyl)-7,7,26,26-tetramethyl-6,24-dioxa-12,14,20-triazaheptacyclo[11.10.3.01,13.02,11.05,10.014,22.016,20]hexacosa-2(11),3,5(10),8-tetraene-15,21-dione