input word = C00016305

Metabolite InformationStructural formula
Name Saccharocarcin E
Formula C62H93NO17
Mw 1123.64435055
CAS RN 158475-36-6
C_ID C00016305 ,
InChIKey APUDDOZNHTWDEQ-GSHJNJHVNA-N
InChICode InChI=1S/C62H93NO17/c1-14-15-39-16-17-40-24-33(6)53(79-49-28-60(12,71)56(37(10)75-49)63-38(11)64)31(4)22-29(2)42-19-18-41-51(61(42,13)57(68)50-58(69)62(40,27-39)80-59(50)70)30(3)23-32(5)54(41)77-46-21-20-45(34(7)72-46)76-47-26-44(66)55(36(9)74-47)78-48-25-43(65)52(67)35(8)73-48/h16-19,22,24,30-32,34-37,39-49,51-56,65-67,69,71H,14-15,20-21,23,25-28H2,1-13H3,(H,63,64)/b29-22-,33-24+/t30-,31+,32+,34-,35-,36-,37+,39+,40-,41-,42+,43-,44+,45-,46-,47+,48-,49-,51-,52+,53-,54+,55+,56-,60+,61+,62+/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]2O[C@@H]([C@@H]([C@](C2)(C)O)NC(=O)C)C)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)O[C@@H]1O[C@H]([C@H]([C@H](C1)O)O)C)C)C)C)C)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
--Lechevalieria aerocolonigenes subsp. antibiotica Ref.
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