input word = C00018178

Metabolite InformationStructural formula
Name Deltamycin A3
Formula C41H65NO16
Mw 827.43033504
CAS RN 58880-24-3
C_ID C00018178 ,
InChIKey UHJLHWLKXDXMHZ-BUHFOSPRNA-N
InChICode InChI=1S/C41H65NO16/c1-11-12-31(46)56-39-24(5)52-33(20-41(39,7)49)57-36-23(4)53-40(35(48)34(36)42(8)9)58-37-26(15-16-43)17-21(2)27(45)13-14-28-29(55-28)18-22(3)51-32(47)19-30(38(37)50-10)54-25(6)44/h13-14,16,21-24,26,28-30,33-40,48-49H,11-12,15,17-20H2,1-10H3/b14-13-/t21-,22+,23-,24+,26-,28-,29+,30+,33-,34-,35-,36-,37+,38-,39+,40+,41+/m0/s1
SMILES O1[C@@H]2C[C@H](OC(=O)C[C@H]([C@@H]([C@@H]([C@H](C[C@@H](C(=O)/C=C/[C@H]12)C)CC=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@](C1)(C)O)OC(=O)CCC)C)N(C)C)O)OC)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces halstedii subsp. deltae FERM-P 2504 Ref.
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