input word = C00015420

Metabolite InformationStructural formula
Name Agrochelin
Agrocheline
Formula C23H34N2O4S2
Mw 466.19599905
CAS RN 247115-74-8
C_ID C00015420 ,
InChIKey QZBCDLLHQSDFIG-XFAOUONGNA-N
InChICode InChI=1S/C23H34N2O4S2/c1-5-6-7-9-14-10-8-11-17(26)18(14)20-24-15(12-30-20)21-25(4)16(13-31-21)19(27)23(2,3)22(28)29/h8,10-11,15-16,19,21,26-27H,5-7,9,12-13H2,1-4H3,(H,28,29)/t15-,16+,19-,21+/m1/s1
SMILES c1(c(cccc1O)CCCCC)C1=N[C@H](CS1)[C@H]1N([C@@H](CS1)[C@H](C(C(=O)O)(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeAgrobacterium sp. Ref.
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