input word = C00016439

Metabolite InformationStructural formula
Name Disorazol A
Disorazole A1
Formula C43H54N2O10
Mw 758.37784596
CAS RN 158181-47-6
C_ID C00016439 ,
InChIKey FRFRWOXVYJSPCG-LMJIMZEINA-N
InChICode InChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)36-23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37(43(5,6)35(47)19-9-2)24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36/h8-22,25,27-29,32-37,46-47H,23-24,26H2,1-7H3/b11-10-,14-12-,18-8+,19-9+,20-13+,21-15+,22-17-,25-16-/t29-,32+,33-,34+,35+,36+,37+/m1/s1
SMILES C\1=C/[C@H]2[C@@H](/C=C\C[C@H](OC(=O)c3coc(C[C@@H](/C=C/C=C\C=C/C[C@H](OC(=O)c4coc(\C=C1)n4)C(C)(C)[C@H](/C=C/C)O)OC)n3)C([C@H](/C=C/C)O)(C)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum strain No. So ce12 Ref.
--Sorangium cellulosum Ref.
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