input word = C00018857

Metabolite InformationStructural formula
Name Antibiotic X 5108
Aurodox
Goldinodox
Goldinomycin
X 5108
Formula C44H62N2O12
Mw 810.43027546
CAS RN 12704-90-4
C_ID C00018857 ,
InChIKey NTAHMPNXQOYXSX-NNAOWHTDNA-N
InChICode InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31+,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1
SMILES c1(=O)c(C(=O)/C(=C/C=C/C=C/[C@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@@H](/C(=C/C=C/CNC(=O)[C@H]([C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)O)CC)/C)OC)C)O2)O)O)/C)c(ccn1C)O
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces goldiniensis var. goldiniensis Ref.
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