input word = C00017828

Metabolite InformationStructural formula
Name Urdamycin D
Formula C53H61NO18
Mw 999.38886415
CAS RN 104443-44-9
C_ID C00017828 ,
InChIKey UVFYLDDMDNSIDY-INPXBOGZNA-N
InChICode InChI=1S/C53H61NO18/c1-22-32(55)10-12-39(66-22)72-53-37(57)19-51(5,63)21-52(53,64)15-14-27-44(53)49-42-29(41(50(62)71-49)30-20-54-31-9-7-6-8-26(30)31)16-28(48(61)43(42)47(27)60)35-18-36(46(59)25(4)65-35)70-38-13-11-34(23(2)67-38)69-40-17-33(56)45(58)24(3)68-40/h6-9,14-16,20,22-25,32-36,38-40,45-46,54-56,58-60,63-64H,10-13,17-19,21H2,1-5H3/t22-,23-,24+,25+,32-,33+,34-,35+,36+,38-,39-,40-,45+,46+,51-,52-,53-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2C[C@H](C3=Cc4c(-c5c[nH]c6ccccc56)c(=O)oc5c6c(c(O)c(c45)C3=O)C=C[C@]3(O)C[C@@](C)(O)CC(=O)[C@]63O[C@H]3CC[C@H](O)[C@H](C)O3)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae T-2717 Ref.
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OrganismStreptomyces fradiae T-2717
ReferenceDrautz,J.Antibiotics,39,(1986),1657