input word = C00016302

Metabolite InformationStructural formula
Name Saccharocarcin B
Formula C68H103NO20
Mw 1253.70734474
CAS RN 158475-33-3
C_ID C00016302 ,
InChIKey HNJKPJNBDVGEDO-KASCBAPZNA-N
InChICode InChI=1S/C68H103NO20/c1-15-16-42-17-18-43-25-35(6)58(88-54-30-66(13,78)62(40(11)83-54)69-41(12)70)33(4)23-31(2)45-20-19-44-56(67(45,14)63(75)55-64(76)68(43,29-42)89-65(55)77)32(3)24-34(5)59(44)85-52-27-48(73)60(38(9)81-52)86-53-28-49(84-50-22-21-46(71)36(7)79-50)61(39(10)82-53)87-51-26-47(72)57(74)37(8)80-51/h17-20,23,25,32-34,36-40,42-54,56-62,71-74,76,78H,15-16,21-22,24,26-30H2,1-14H3,(H,69,70)/b31-23-,35-25+/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+,62-,66+,67+,68+/m1/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]1C[C@H]([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)O)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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OrganismLechevalieria aerocolonigenes subsp. antibiotica
ReferenceHoran,J.Antibiotics 50,(1997),119