input word = C00015384

Metabolite InformationStructural formula
Name Bergofungin C
Formula C72H118N16O19
Mw 1510.87591571
CAS RN 245670-52-4
C_ID C00015384 ,
InChIKey AEIHZHIUHVEFKY-CCXRHHFQNA-N
InChICode InChI=1S/C72H118N16O19/c1-37(2)29-46(77-50(94)33-74-57(99)51(38(3)4)79-60(102)67(10,11)84-63(105)70(16,17)85-61(103)69(14,15)83-58(100)52(39(5)6)75-40(7)90)54(96)80-68(12,13)62(104)86-72(20,21)65(107)87-34-43(91)31-47(87)55(97)78-45(27-28-49(73)93)53(95)81-71(18,19)64(106)88-35-44(92)32-48(88)56(98)82-66(8,9)59(101)76-42(36-89)30-41-25-23-22-24-26-41/h22-26,37-39,42-48,51-52,89,91-92H,27-36H2,1-21H3,(H2,73,93)(H,74,99)(H,75,90)(H,76,101)(H,77,94)(H,78,97)(H,79,102)(H,80,96)(H,81,95)(H,82,98)(H,83,100)(H,84,105)(H,85,103)(H,86,104)/t42-,43+,44+,45-,46-,47-,48+,51+,52-/m0/s1
SMILES C(=O)(C(NC(=O)[C@H]1C[C@H](CN1C(=O)C(C)(NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]1N(C[C@@H](C1)O)C(=O)C(NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C)C(C)C)(C)C)C)O)(C)C)N[C@@H](Cc1ccccc1)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Ala L-Asp L-Phe
Organism
Kingdom Family Species Reference
FungiIncertae sedisEmericellopsis donezkii HKI 0059 Ref.
zoom in