input word = C00027995

Metabolite InformationStructural formula
Name Caledonin
Formula C26H43N5O2S
Mw 489.31374638
CAS RN 171675-03-9
C_ID C00027995 ,
InChIKey AVNDDJCOCWPTBQ-VUEPYQETNA-N
InChICode InChI=1S/C26H43N5O2S/c1-2-3-4-5-6-10-15-28-26-29-16-11-17-31(26)25(33)23(19-21-12-8-7-9-13-21)30-24(32)20-22(27)14-18-34/h7-9,12-13,22-23,34H,2-6,10-11,14-20,27H2,1H3,(H,28,29)(H,30,32)/t22-,23+/m1/s1
SMILES CCCCCCCCNC1=NCCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)CCS
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum rodriguese Ref.
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