input word = C00016582

Metabolite InformationStructural formula
Name Chrysospermin C
Formula C90H142N22O23
Mw 1899.06181901
CAS RN 160791-55-9
C_ID C00016582 ,
InChIKey VFEZBCNAKMFKSA-UHFFFAOYNA-N
InChICode InChI=1S/C90H142N22O23/c1-26-90(25,112-79(134)86(17,18)106-70(125)60(46-114)102-72(127)81(7,8)105-69(124)59(97-50(6)115)41-51-32-28-27-29-33-51)80(135)101-58(40-47(2)3)68(123)99-56(36-38-61(91)116)66(121)94-44-63(118)103-84(13,14)74(129)107-82(9,10)71(126)96-48(4)64(119)95-49(5)65(120)104-85(15,16)75(130)109-88(21,22)77(132)111-89(23,24)78(133)110-87(19,20)76(131)108-83(11,12)73(128)100-57(37-39-62(92)117)67(122)98-53(45-113)42-52-43-93-55-35-31-30-34-54(52)55/h27-35,43,47-49,53,56-60,93,113-114H,26,36-42,44-46H2,1-25H3,(H2,91,116)(H2,92,117)(H,94,121)(H,95,119)(H,96,126)(H,97,115)(H,98,122)(H,99,123)(H,100,128)(H,101,135)(H,102,127)(H,103,118)(H,104,120)(H,105,124)(H,106,125)(H,107,129)(H,108,131)(H,109,130)(H,110,133)(H,111,132)(H,112,134)/t48-,49-,53-,56-,57+,58-,59-,60+,90-/m1/s1
SMILES c1ccc2c(c1)[nH]cc2C[C@@H](NC(=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)CC)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