CHEBI:212039 - 15b-beta-hydroxy-5-N-acetylardeemin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 15b-beta-hydroxy-5-N-acetylardeemin
ChEBI ID CHEBI:212039
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H28N4O4
Net Charge 0
Average Mass 484.556
Monoisotopic Mass 484.21106
InChI InChI=1S/C28H28N4O4/c1-6-26(4,5)27-15-28(36)24-29-20-13-9-7-11-18(20)23(35)30(24)16(2)22(34)32(28)25(27)31(17(3)33)21-14-10-8-12-19(21)27/h6-14,16,25,36H,1,15H2,2-5H3/t16-,25+,27-,28-/m0/s1
InChIKey UTVHCNQHDCRVMF-HRNBAXJPSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@]4(O)N([C@H]5N(C=6C=CC=CC6[C@]5(C4)C(C=C)(C)C)C(=O)C)C([C@@H]2C)=O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 15b-beta-hydroxy-5-N-acetylardeemin (CHEBI:212039) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,12S,15R,23S)-16-acetyl-1-hydroxy-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
Manual Xref Database
78440363 ChemSpider
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