input word = C00015503

Metabolite InformationStructural formula
Name Arisostatin B
Formula C69H102N2O22
Mw 1310.69242296
CAS RN 271574-42-6
C_ID C00015503 ,
InChIKey RSXDYTMRFJAYNL-SJTUHWNSNA-N
InChICode InChI=1S/C69H102N2O22/c1-31(2)64(78)92-60-39(10)85-54(27-50(60)89-51-22-20-49(37(8)83-51)88-53-26-47(75)59(38(9)84-53)90-52-21-18-45(73)36(7)82-52)91-58-35(6)23-34(5)57-42(58)16-17-43-32(3)15-19-48(87-55-29-67(12,70)61(40(11)86-55)71-66(80)81-14)33(4)24-44-46(74)25-41(30-72)28-69(44)63(77)56(65(79)93-69)62(76)68(43,57)13/h15-17,24-25,30-31,34-40,42-55,57-61,73-75,77H,18-23,26-29,70H2,1-14H3,(H,71,80)/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)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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