input word = C00039772

Metabolite InformationStructural formula
Name Mirabamide B
(-)-Mirabamide B
Formula C72H111ClN12O25
Mw 1578.7471849
CAS RN 960223-82-9
C_ID C00039772 ,
InChIKey UHQCAXFLMDVFDC-RSETUHPTNA-N
InChICode InChI=1S/C72H111ClN12O25/c1-17-33(5)27-34(6)19-24-47(88)72(13,105)71(104)76-30-49(90)80-51(38(10)86)64(98)78-44(18-2)62(96)81-50(35(7)36(8)60(74)94)63(97)82-52-58(32(3)4)110-69(103)46-28-42(73)25-26-85(46)68(102)53(59(107-16)41-20-22-43(23-21-41)109-70-57(93)56(92)55(91)40(12)108-70)83-66(100)54(39(11)87)84(14)67(101)37(9)77-48(89)29-75-61(95)45(31-106-15)79-65(52)99/h18-24,27,32-33,35-40,42,45-47,50-59,70,86-88,91-93,105H,17,25-26,28-31H2,1-16H3,(H2,74,94)(H,75,95)(H,76,104)(H,77,89)(H,78,98)(H,79,99)(H,80,90)(H,81,96)(H,82,97)(H,83,100)/b24-19-,34-27+,44-18-/t33-,35-,36+,37-,38+,39+,40-,42-,45+,46-,47+,50-,51-,52+,53+,54-,55-,56+,57+,58+,59+,70-,72-/m0/s1
SMILES C1[C@@H](C[C@@H]2N(C1)C(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H]([C@H](OC2=O)C(C)C)NC(=O)[C@H]([C@H]([C@H](C(=O)N)C)C)NC(=O)/C(=C/C)/NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@]([C@@H](/C=C\C(=C\[C@H](CC)C)\C)O)(C)O)COC)C)C)[C@@H](C)O)[C@H](OC)c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Siliquariaspongia mirabilis Ref.
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