input word = C00016739

Metabolite InformationStructural formula
Name Protorubradirin
Formula C48H46N4O19
Mw 982.27562532
CAS RN 122525-61-5
C_ID C00016739 ,
InChIKey YOBDUGOCRYXTGC-GZTJUZNONA-N
InChICode InChI=1S/C48H46N4O19/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)71-48)70-46(63)32-37(57)26(68-27-15-47(5,52-64)43(66-8)20(4)67-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(65-7)13-25(22)69-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11+/t19-,20+,27-,39-,40+,43+,47+,48+/m1/s1
SMILES c12c(cc(cc1)OC)oc(=O)c(c2O)NC(=O)c1nc(c(c(c1)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)N=O)O)C(=O)O[C@@H]1[C@H](C(=O)[C@]2(OC3=C(C(=O)c4c(C3=O)c(C(=O)/C(=C/[C@H]1C)/C)c(c(c4)C)O)NC2)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces achromogenes subsp. rubradiris Ref.
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