input word = C00018371

Metabolite InformationStructural formula
Name Isariin C
Formula C28H49N5O7
Mw 567.36319896
CAS RN 80111-96-2
C_ID C00018371 ,
InChIKey YBUNWQZCPQUPOR-UHFFFAOYNA-N
InChICode InChI=1S/C28H49N5O7/c1-8-9-10-11-12-20-14-22(34)29-15-23(35)33-24(17(4)5)27(38)32-21(13-16(2)3)26(37)30-18(6)25(36)31-19(7)28(39)40-20/h16-21,24H,8-15H2,1-7H3,(H,29,34)(H,30,37)(H,31,36)(H,32,38)(H,33,35)/t18-,19+,20+,21+,24+/m0/s1
SMILES C1(=O)O[C@@H](CC(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C)C)CC(C)C)C(C)C)CCCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Isaria felina Ref.
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