CHEBI:221408 - Guanipiperazine 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 Guanipiperazine B
ChEBI ID CHEBI:221408
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H23N7O3
Net Charge 0
Average Mass 445.483
Monoisotopic Mass 445.18624
InChI InChI=1S/C23H23N7O3/c24-22-28-20-19(21(31)30-22)27-23(29-20)33-17-6-3-13-8-15-11-25-14(10-26-15)7-12-1-4-16(5-2-12)32-18(17)9-13/h1-6,9,14-15,25-26H,7-8,10-11H2,(H4,24,27,28,29,30,31)/t14-,15-/m0/s1
InChIKey IBOGMHPJDKMKDZ-GJZGRUSLSA-N
SMILES O=C1NC(=NC2=C1NC(OC3=C4OC5=CC=C(C[C@H]6CN[C@@H](CC(=C4)C=C3)CN6)C=C5)=N2)N
Metabolite of Species Details
Streptomyces chrestomyceticus (NCBI:txid68185) See: PubMed
ChEBI Ontology
Outgoing Guanipiperazine B (CHEBI:221408) is a phenylpropanoid (CHEBI:26004)