input word = C00017997

Metabolite InformationStructural formula
Name Detoxin D4
Formula C30H45N3O8
Mw 575.32066544
CAS RN 53481-52-0
C_ID C00017997 ,
InChIKey MVVOKRBJEDFUGJ-UHFFFAOYNA-N
InChICode InChI=1S/C30H45N3O8/c1-6-11-25(36)40-22-14-15-33(29(38)26(31)18(3)4)27(22)23(17-24(34)35)41-30(39)21(32-28(37)19(5)7-2)16-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23,26-27H,6-7,11,14-17,31H2,1-5H3,(H,32,37)(H,34,35)/t19-,21+,22+,23-,26-,27-/m1/s1
SMILES C([C@H]([C@H]1[C@H](CCN1C(=O)[C@H](N)C(C)C)OC(=O)CCC)OC(=O)[C@@H](NC(=O)[C@H](C)CC)Cc1ccccc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces caespitosus Ref.
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