input word = C00015054

Metabolite InformationStructural formula
Name Atroviridin C
Formula C94H155N23O24
Mw 1990.16153305
CAS RN 258853-80-4
C_ID C00015054 ,
InChIKey ZTNPFPGCXCKWDW-LHZFUISQNA-N
InChICode InChI=1S/C94H155N23O24/c1-27-94(26,83(139)104-57(38-41-63(96)121)70(126)102-56(37-40-62(95)120)69(125)100-55(48-118)46-54-33-29-28-30-34-54)115-82(138)91(20,21)113-75(131)66(50(4)5)105-73(129)60-35-31-43-116(60)85(141)93(24,25)110-72(128)59(45-49(2)3)101-65(123)47-98-77(133)86(10,11)112-76(132)67(51(6)7)106-80(136)88(14,15)109-71(127)58(39-42-64(97)122)103-79(135)89(16,17)114-81(137)90(18,19)108-68(124)52(8)99-78(134)87(12,13)111-74(130)61-36-32-44-117(61)84(140)92(22,23)107-53(9)119/h28-30,33-34,49-52,55-61,66-67,118H,27,31-32,35-48H2,1-26H3,(H2,95,120)(H2,96,121)(H2,97,122)(H,98,133)(H,99,134)(H,100,125)(H,101,123)(H,102,126)(H,103,135)(H,104,139)(H,105,129)(H,106,136)(H,107,119)(H,108,124)(H,109,127)(H,110,128)(H,111,130)(H,112,132)(H,113,131)(H,114,137)(H,115,138)/t52-,55+,56-,57-,58+,59+,60+,61-,66-,67-,94-/m0/s1
SMILES C1N([C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NCC(=O)N[C@@H](C(=O)NC(C(=O)N2[C@H](CCC2)C(=O)N[C@H](C(=O)NC(C)(C(=O)N[C@@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)CCC(=O)N)CCC(=O)N)(C)CC)C)C(C)C)(C)C)CC(C)C)(C)C)C(C)C)(C)C)CCC(=O)N)(C)C)(C)C)C)(C)C)CC1)C(=O)C(C)(NC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma atroviride F80317 Ref.
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