input word = C00015053

Metabolite InformationStructural formula
Name Atroviridin B
Formula C93H153N23O24
Mw 1976.14588299
CAS RN 258853-79-1
C_ID C00015053 ,
InChIKey IPZQBZAEWOVJOO-ITQVVXJINA-N
InChICode InChI=1S/C93H153N23O24/c1-26-93(25,83(138)104-57(37-40-63(95)120)71(126)103-56(36-39-62(94)119)70(125)100-55(47-117)45-54-32-28-27-29-33-54)114-82(137)90(19,20)113-76(131)66(49(4)5)105-74(129)60-34-30-42-115(60)85(140)92(23,24)110-73(128)59(44-48(2)3)101-65(122)46-97-78(133)86(11,12)112-77(132)67(50(6)7)106-81(136)89(17,18)109-72(127)58(38-41-64(96)121)102-68(123)51(8)98-79(134)87(13,14)108-69(124)52(9)99-80(135)88(15,16)111-75(130)61-35-31-43-116(61)84(139)91(21,22)107-53(10)118/h27-29,32-33,48-52,55-61,66-67,117H,26,30-31,34-47H2,1-25H3,(H2,94,119)(H2,95,120)(H2,96,121)(H,97,133)(H,98,134)(H,99,135)(H,100,125)(H,101,122)(H,102,123)(H,103,126)(H,104,138)(H,105,129)(H,106,136)(H,107,118)(H,108,124)(H,109,127)(H,110,128)(H,111,130)(H,112,132)(H,113,131)(H,114,137)/t51-,52-,55-,56-,57-,58-,59-,60-,61-,66+,67-,93+/m0/s1
SMILES C1N([C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](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)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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