input word = C00039774

Metabolite InformationStructural formula
Name Mirabamide D
Formula C72H115N13O25
Mw 1561.81270632
CAS RN 960223-84-1
C_ID C00039774 ,
InChIKey NAEQWXPETBQBMW-XPRZQHEKNA-N
InChICode InChI=1S/C72H115N13O25/c1-17-33(4)28-34(5)21-26-46(88)72(13,105)71(104)76-30-48(90)79-51(39(10)86)64(98)81-50(37(8)73)63(97)80-49(35(6)36(7)60(74)94)62(96)82-52-58(32(2)3)110-69(103)45-20-18-19-27-85(45)68(102)53(59(107-16)42-22-24-43(25-23-42)109-70-57(93)56(92)55(91)41(12)108-70)83-66(100)54(40(11)87)84(14)67(101)38(9)77-47(89)29-75-61(95)44(31-106-15)78-65(52)99/h21-26,28,32-33,35-41,44-46,49-59,70,86-88,91-93,105H,17-20,27,29-31,73H2,1-16H3,(H2,74,94)(H,75,95)(H,76,104)(H,77,89)(H,78,99)(H,79,90)(H,80,97)(H,81,98)(H,82,96)(H,83,100)/b26-21-,34-28+/t33-,35+,36-,37-,38+,39-,40-,41+,44-,45+,46-,49+,50+,51+,52-,53-,54+,55+,56-,57-,58-,59-,70+,72+/m1/s1
SMILES C1CC[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@H]([C@@H](C)N)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
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Siliquariaspongia mirabilis Ref.
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