input word = C00016304

Metabolite InformationStructural formula
Name Saccharocarcin D
Formula C67H101NO19
Mw 1223.69678005
CAS RN 158475-35-5
C_ID C00016304 ,
InChIKey KWTVHMCLDKKCAT-UGFURXGPNA-N
InChICode InChI=1S/C67H101NO19/c1-15-42-16-17-43-26-35(6)58(86-54-30-65(13,76)61(40(11)81-54)68-41(12)69)33(4)24-31(2)45-19-18-44-56(66(45,14)62(73)55-63(74)67(43,29-42)87-64(55)75)32(3)25-34(5)59(44)84-51-23-21-48(37(8)78-51)82-53-28-49(83-50-22-20-46(70)36(7)77-50)60(39(10)80-53)85-52-27-47(71)57(72)38(9)79-52/h16-19,24,26,32-34,36-40,42-54,56-61,70-72,74,76H,15,20-23,25,27-30H2,1-14H3,(H,68,69)/b31-24-,35-26+/t32-,33-,34-,36-,37-,38-,39+,40-,42-,43+,44-,45+,46+,47-,48-,49+,50-,51-,52-,53+,54-,56+,57+,58-,59-,60-,61+,65+,66+,67+/m0/s1
SMILES [C@@H]1(C=C[C@H]2[C@@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@@H](/C(=C\[C@@H]([C@@H](/C(=C/2)/C)O[C@H]2C[C@@]([C@@H]([C@@H](O2)C)NC(=O)C)(C)O)C)/C)C=C[C@H]2[C@H]1[C@H](C[C@@H]([C@@H]2O[C@H]1CC[C@@H]([C@@H](O1)C)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1CC[C@H]([C@@H](O1)C)O)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)C)C)C)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Lechevalieria aerocolonigenes subsp. antibiotica Ref.
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