input word = C00038528

Metabolite InformationStructural formula
Name Astin B
Formula C25H33Cl2N5O7
Mw 585.17570387
CAS RN 151201-76-2
C_ID C00038528 ,
InChIKey DQILVZOWLYBPKT-UHFFFAOYNA-N
InChICode InChI=1S/C25H33Cl2N5O7/c1-3-15-25(39)32-10-14(26)19(27)21(32)24(38)31-20(12(2)34)23(37)30-17(11-33)22(36)29-16(9-18(35)28-15)13-7-5-4-6-8-13/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,35)(H,29,36)(H,30,37)(H,31,38)/t12-,14-,15+,16-,17-,19-,20+,21-/m1/s1
SMILES CCC1NC(=O)CC(c2ccccc2)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C2C(Cl)C(Cl)CN2C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAster tataricus Ref.
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