input word = C00016301

Metabolite InformationStructural formula
Name Saccharocarcin A
Formula C67H101NO20
Mw 1239.69169468
CAS RN 158475-32-2
C_ID C00016301 ,
InChIKey JAMDOBKUFOFTAO-CBSOLZSTNA-N
InChICode InChI=1S/C67H101NO20/c1-15-41-16-17-42-24-34(6)57(87-53-29-65(13,77)61(39(11)82-53)68-40(12)69)32(4)22-30(2)44-19-18-43-55(66(44,14)62(74)54-63(75)67(42,28-41)88-64(54)76)31(3)23-33(5)58(43)84-51-26-47(72)59(37(9)80-51)85-52-27-48(83-49-21-20-45(70)35(7)78-49)60(38(10)81-52)86-50-25-46(71)56(73)36(8)79-50/h16-19,22,24,31-33,35-39,41-53,55-61,70-73,75,77H,15,20-21,23,25-29H2,1-14H3,(H,68,69)/b30-22-,34-24+/t31-,32+,33-,35-,36-,37-,38+,39+,41+,42-,43+,44-,45+,46-,47-,48-,49-,50+,51+,52-,53-,55+,56+,57+,58+,59+,60+,61+,65-,66-,67-/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)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Lechevalieria aerocolonigenes subsp. antibiotica Ref.
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OrganismLechevalieria aerocolonigenes subsp. antibiotica
ReferenceHoran,J.Antibiotics 50,(1997),119