input word = C00045860

Metabolite InformationStructural formula
Name Discarene C
Formula C29H35N3O4
Mw 489.26275663
CAS RN 357641-18-0
C_ID C00045860 ,
InChIKey BCKFBSQASKVSKD-NRQQLHKUNA-N
InChICode InChI=1S/C29H35N3O4/c1-19(2)10-15-25(33)32-26-27(22-8-6-5-7-9-22)36-23-13-11-21(12-14-23)16-17-30-28(34)24(18-20(3)4)31-29(26)35/h5-17,19-20,24,26-27H,18H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/b15-10+,17-16+/t24-,26-,27-/m1/s1
SMILES CC(C)/C=C/C(=O)NC1C(=O)NC(CC(C)C)C(=O)N/C=C/c2ccc(cc2)OC1c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria americana Ref.
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