input word = C00026577

Metabolite InformationStructural formula
Name Celenamide B
Formula C33H34BrN5O8
Mw 707.159076
CAS RN 74144-99-3
C_ID C00026577 ,
InChIKey QFRVOMGCDKHOEB-RLFFMKGVNA-N
InChICode InChI=1S/C33H34BrN5O8/c1-16(2)29(35)33(47)39-23(9-18-11-27(42)30(44)28(43)12-18)32(46)38-24(13-19-15-37-22-14-20(34)4-5-21(19)22)31(45)36-8-7-17-3-6-25(40)26(41)10-17/h3-12,14-16,24,29,37,40-44H,13,35H2,1-2H3,(H,36,45)(H,38,46)(H,39,47)/b8-7+,23-9-/t24-,29+/m0/s1
SMILES c1(c[nH]c2c1ccc(c2)Br)C[C@H](NC(=O)/C(=C/c1cc(c(c(c1)O)O)O)/NC(=O)[C@H](N)C(C)C)C(=O)N/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaClionaidaeCliona chilensis Ref.
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