input word = C00015911

Metabolite InformationStructural formula
Name Ampullosporin B
Formula C76H125N19O19
Mw 1607.93991295
CAS RN 338991-76-7
C_ID C00015911 ,
InChIKey AAJHZGKOEKTXLF-ZTKOPXQVNA-N
InChICode InChI=1S/C76H125N19O19/c1-38(2)32-45(37-96)84-60(104)49(27-30-55(78)99)87-66(110)71(10,11)92-63(107)51(33-39(3)4)85-61(105)50(28-31-56(79)100)88-67(111)73(14,15)94-69(113)75(18,19)90-57(101)41(7)81-59(103)48(26-29-54(77)98)86-65(109)72(12,13)93-64(108)52(34-40(5)6)89-68(112)74(16,17)95-70(114)76(20,21)91-58(102)42(8)82-62(106)53(83-43(9)97)35-44-36-80-47-25-23-22-24-46(44)47/h22-25,36,38-42,45,48-53,80,96H,26-35,37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,103)(H,82,106)(H,83,97)(H,84,104)(H,85,105)(H,86,109)(H,87,110)(H,88,111)(H,89,112)(H,90,101)(H,91,102)(H,92,107)(H,93,108)(H,94,113)(H,95,114)/t41-,42-,45-,48+,49-,50-,51-,52-,53-/m0/s1
SMILES [C@@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CO)CC(C)C)(C)C)CC(C)C)(C)C)(C)C)C)(C)C)CC(C)C)(C)C)(C)C)(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Sepedonium ampullosporum HKI-0053 Ref.
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OrganismSepedonium ampullosporum HKI-0053
ReferenceKronen,J.Antibiotics 54,(2001),175