input word = C00015502

Metabolite InformationStructural formula
Name Arisostatin A
Formula C69H100N2O24
Mw 1340.66660214
CAS RN 271574-41-5
C_ID C00015502 ,
InChIKey AARSAHIOMZRJPV-SJTUHWNSNA-N
InChICode InChI=1S/C69H100N2O24/c1-31(2)64(78)94-60-39(10)87-54(27-50(60)91-51-22-20-49(37(8)85-51)90-53-26-47(75)59(38(9)86-53)92-52-21-18-45(73)36(7)84-52)93-58-35(6)23-34(5)57-42(58)16-17-43-32(3)15-19-48(89-55-29-67(12,71(81)82)61(40(11)88-55)70-66(80)83-14)33(4)24-44-46(74)25-41(30-72)28-69(44)63(77)56(65(79)95-69)62(76)68(43,57)13/h15-17,24-25,30-31,34-40,42-55,57-61,73-75,77H,18-23,26-29H2,1-14H3,(H,70,80)/b32-15-,33-24+/t34-,35-,36+,37-,38+,39-,40-,42-,43+,44+,45+,46-,47+,48+,49-,50-,51-,52-,53-,54+,55+,57+,58-,59-,60+,61-,67-,68+,69+/m1/s1
SMILES C1(=C[C@H]([C@H]2[C@]3(C1)OC(=O)C(=C3O)C(=O)[C@]1([C@H](/C(=C\C[C@@H](/C(=C/2)/C)O[C@@H]2O[C@@H]([C@H]([C@@](C2)([N+](=O)[O-])C)NC(=O)OC)C)/C)C=C[C@@H]2[C@@H]1[C@@H](C[C@H]([C@H]2O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)O[C@H]1O[C@@H]([C@@H](CC1)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1O[C@H]([C@H](CC1)O)C)O)C)OC(=O)C(C)C)C)C)C)C)O)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. TP-A0316 Ref.
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