input word = C00016580

Metabolite InformationStructural formula
Name Chrysospermin A
Formula C89H140N22O23
Mw 1885.04616894
CAS RN 160824-57-7
C_ID C00016580 ,
InChIKey BAGYQQLODXTDCV-UHFFFAOYNA-N
InChICode InChI=1S/C89H140N22O23/c1-46(2)39-57(100-73(128)83(12,13)107-76(131)86(18,19)105-69(124)59(45-113)101-71(126)80(6,7)104-68(123)58(97-49(5)114)40-50-31-27-26-28-32-50)67(122)98-55(35-37-60(90)115)65(120)94-43-62(117)102-84(14,15)74(129)106-81(8,9)70(125)96-47(3)63(118)95-48(4)64(119)103-85(16,17)75(130)109-88(22,23)78(133)111-89(24,25)79(134)110-87(20,21)77(132)108-82(10,11)72(127)99-56(36-38-61(91)116)66(121)93-41-51(44-112)53-42-92-54-34-30-29-33-52(53)54/h26-34,42,46-48,51,55-59,92,112-113H,35-41,43-45H2,1-25H3,(H2,90,115)(H2,91,116)(H,93,121)(H,94,120)(H,95,118)(H,96,125)(H,97,114)(H,98,122)(H,99,127)(H,100,128)(H,101,126)(H,102,117)(H,103,119)(H,104,123)(H,105,124)(H,106,129)(H,107,131)(H,108,132)(H,109,130)(H,110,134)(H,111,133)/t47-,48+,51+,55-,56+,57-,58+,59+/m0/s1
SMILES c1ccc2c(c1)[nH]cc2[C@H](CNC(=O)[C@@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)C)Cc1ccccc1)(C)C)CO)(C)C)(C)C)CC(C)C)CCC(=O)N)(C)C)(C)C)C)C)(C)C)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeApiocrea chrysosperma Ap101 Ref.
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OrganismApiocrea chrysosperma Ap101
ReferenceDornberger,J.Antibiotics 48,(1995),977