input word = C00017995

Metabolite InformationStructural formula
Name Detoxin D2
Formula C29H43N3O8
Mw 561.30501537
CAS RN 53481-50-8
C_ID C00017995 ,
InChIKey ZPIOJVZWBDUUTC-UHFFFAOYNA-N
InChICode InChI=1S/C29H43N3O8/c1-6-18(5)27(36)31-20(15-19-11-9-8-10-12-19)29(38)40-22(16-23(33)34)26-21(39-24(35)7-2)13-14-32(26)28(37)25(30)17(3)4/h8-12,17-18,20-22,25-26H,6-7,13-16,30H2,1-5H3,(H,31,36)(H,33,34)/t18-,20-,21-,22-,25+,26+/m1/s1
SMILES C([C@H]([C@@H]1[C@@H](CCN1C(=O)[C@@H](N)C(C)C)OC(=O)CC)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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OrganismStreptomyces caespitosus
ReferenceNoboru,J. Antibiotics,27,(1974),484