input word = C00039771

Metabolite InformationStructural formula
Name Mirabamide A
(-)-Mirabamide A
Formula C72H114ClN13O25
Mw 1595.773734
CAS RN 960223-81-8
C_ID C00039771 ,
InChIKey PYYXFJVIXGKIPV-QCOFSGSANA-N
InChICode InChI=1S/C72H114ClN13O25/c1-17-32(4)26-33(5)18-23-46(89)72(13,106)71(105)77-29-48(91)80-51(38(10)87)64(99)82-50(36(8)74)63(98)81-49(34(6)35(7)60(75)95)62(97)83-52-58(31(2)3)111-69(104)45-27-42(73)24-25-86(45)68(103)53(59(108-16)41-19-21-43(22-20-41)110-70-57(94)56(93)55(92)40(12)109-70)84-66(101)54(39(11)88)85(14)67(102)37(9)78-47(90)28-76-61(96)44(30-107-15)79-65(52)100/h18-23,26,31-32,34-40,42,44-46,49-59,70,87-89,92-94,106H,17,24-25,27-30,74H2,1-16H3,(H2,75,95)(H,76,96)(H,77,105)(H,78,90)(H,79,100)(H,80,91)(H,81,98)(H,82,99)(H,83,97)(H,84,101)/b23-18-,33-26+/t32-,34+,35-,36-,37+,38-,39-,40+,42+,44-,45+,46-,49+,50+,51+,52+,53-,54+,55+,56-,57-,58-,59-,70+,72+/m1/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@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)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Siliquariaspongia mirabilis Ref.
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OrganismSiliquariaspongia mirabilis
ReferencePlaza,J.Nat.Prod.,70,(2007),1753