input word = C00040588

Metabolite InformationStructural formula
Name Tumonoic acid I
Formula C27H47NO7
Mw 497.33525286
CAS RN 1044498-34-1
C_ID C00040588 ,
InChIKey LWUJNFXMOSWRGO-BJSGXXFENA-N
InChICode InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)/t17-,18-,19-,20-,21-,22-,23+/m0/s1
SMILES C1CC[C@H](N1C(=O)[C@H](C[C@H](CCCC)C)C)C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H]([C@@H](C)CC)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Blennothrix cantharidosmum Ref.
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OrganismBlennothrix cantharidosmum
ReferenceClark,J.Nat.Prod.,71,(2008),1530