input word = C00047678

Metabolite InformationStructural formula
Name 5-OHKF
Formula C75H124N14O17
Mw 1492.92688864
CAS RN 1198473-27-6
C_ID C00047678 ,
InChIKey ALXLPJFIZHADTG-YIURBZIDNA-N
InChICode InChI=1S/C75H124N14O17/c1-20-43(14)58(70(100)88-61-46(17)106-74(104)57(42(12)13)84-62(92)48(22-3)77-64(94)50(37-47-29-24-23-25-30-47)79-66(96)54(39(6)7)81-69(99)59(44(15)21-2)86-72(61)102)85-63(93)49(31-27-35-76)78-65(95)51-32-28-36-89(51)73(103)56(41(10)11)83-68(98)55(40(8)9)82-71(101)60(45(16)90)87-67(97)53(38(4)5)80-52(91)33-26-34-75(18,19)105/h22-25,29-30,38-46,49-51,53-61,90,105H,20-21,26-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b48-22-/t43-,44-,45+,46+,49-,50-,51+,53+,54+,55-,56+,57-,58+,59-,60-,61+/m0/s1
SMILES C1CN([C@H](C1)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C\C)/C(=O)N[C@H](C(=O)O[C@@H]1C)C(C)C)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@H](CC)C)CCCN)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(=O)CCCC(C)(O)C)C(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Byropsis pennata Ref.
zoom in