input word = C00026844

Metabolite InformationStructural formula
Name Sebastianine B
Formula C22H19N3O3
Mw 373.1426415
CAS RN 448264-65-1
C_ID C00026844 ,
InChIKey KIKGCFUXDPHGDY-PEODTPIXNA-N
InChICode InChI=1S/C22H19N3O3/c1-11(2)18-21(26)25-10-8-14-17-16-13(12-5-3-4-6-15(12)24-17)7-9-23-19(16)22(27,28-18)20(14)25/h3-7,9,11,18,27H,8,10H2,1-2H3/t18-,22+/m1/s1
SMILES c12c3C4=C5[C@](c1nccc2c1c(n3)cccc1)(O[C@@H](C(=O)N5CC4)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
AnimaliaClavelinidaeCystodytes dellechiajei Ref.
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OrganismCystodytes dellechiajei
ReferenceTorres,J.Org.Chem.,67,(2002),5429