input word = C00016845

Metabolite InformationStructural formula
Name Respinomycin D
Formula C51H70N2O22
Mw 1062.44202194
CAS RN 151233-07-7
C_ID C00016845 ,
InChIKey QYNAQIXCSIMIOO-UHFFFAOYNA-N
InChICode InChI=1S/C51H70N2O22/c1-19-37(58)49(6,61)42(66-12)45(69-19)73-36-27-22(17-48(5,60)41(36)65-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)72-44-34(57)30(52(9)10)40(51(25,8)75-44)71-26-18-47(4,53(63)64)39(21(3)68-26)74-46-43(67-13)50(7,62)38(59)20(2)70-46/h14-16,19-21,26,30,34,36-46,55,57-62H,17-18H2,1-13H3/t19-,20+,21+,26+,30-,34-,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+,46-,47+,48+,49+,50-,51-/m0/s1
SMILES COC1C(OC2OC(C)C(O)C(C)(O)C2OC)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([N+](=O)[O-])C(OC5OC(C)C(O)C(C)(O)C5OC)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces xanthocidicus Ref.
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