input word = C00018370

Metabolite InformationStructural formula
Name Isariin B
Formula C30H53N5O7
Mw 595.39449908
CAS RN 80111-95-1
C_ID C00018370 ,
InChIKey QWBKHPNGPXORRV-UHFFFAOYNA-N
InChICode InChI=1S/C30H53N5O7/c1-9-10-11-12-13-21-15-23(36)31-16-24(37)34-25(18(4)5)29(40)33-22(14-17(2)3)28(39)32-20(8)27(38)35-26(19(6)7)30(41)42-21/h17-22,25-26H,9-16H2,1-8H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t20-,21-,22+,25+,26+/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)C)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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OrganismIsaria felina
ReferenceBaute,J. Antibiotics,34,(1981),1261