CHEBI:210682 - Spirotryprostatin B

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 Spirotryprostatin B
ChEBI ID CHEBI:210682
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21N3O3
Net Charge 0
Average Mass 363.417
Monoisotopic Mass 363.15829
InChI InChI=1S/C21H21N3O3/c1-12(2)10-17-21(13-6-3-4-7-14(13)22-20(21)27)11-16-18(25)23-9-5-8-15(23)19(26)24(16)17/h3-4,6-7,10-11,15,17H,5,8-9H2,1-2H3,(H,22,27)/t15-,17-,21-/m0/s1
InChIKey IWUYVKKHPNFWJG-WJPUGNRLSA-N
SMILES O=C1N2[C@H](C(=O)N3C1=C[C@@]4(C(=O)NC5=C4C=CC=C5)[C@@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing Spirotryprostatin B (CHEBI:210682) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin B (CHEBI:210682) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin B (CHEBI:210682) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(5S,6S,9S)-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodec-3-ene-5,3'-1H-indole]-2,2',8-trione
Manual Xref Database
8104599 ChemSpider
View more database links