input word = C00054983

Metabolite InformationStructural formula
Name Astin I
Formula C25H34ClN5O7
Mw 551.21467619
CAS RN 161162-22-7
C_ID C00054983
InChIKey COQCSFSVIYKVMO-UHFFFAOYSA-N
InChICode InChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35)
SMILES CCC1NC(=O)C2C(O)C(Cl)CN2C(=O)C(CC)NC(=O)CC(c2ccccc2)NC(=O)C(CO)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia kolomikta Ref.
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