input word = C00016583

Metabolite InformationStructural formula
Name Chrysospermin D
Formula C91H144N22O23
Mw 1913.07746907
CAS RN 160791-56-0
C_ID C00016583 ,
InChIKey OOGRFLUDDYMUCG-UHFFFAOYNA-N
InChICode InChI=1S/C91H144N22O23/c1-26-90(24,112-79(134)87(18,19)107-71(126)61(47-115)103-73(128)82(8,9)106-70(125)60(98-51(7)116)42-52-33-29-28-30-34-52)80(135)102-59(41-48(3)4)69(124)100-57(37-39-62(92)117)67(122)95-45-64(119)104-85(14,15)75(130)108-83(10,11)72(127)97-49(5)65(120)96-50(6)66(121)105-86(16,17)78(133)113-91(25,27-2)81(136)111-89(22,23)77(132)110-88(20,21)76(131)109-84(12,13)74(129)101-58(38-40-63(93)118)68(123)99-54(46-114)43-53-44-94-56-36-32-31-35-55(53)56/h28-36,44,48-50,54,57-61,94,114-115H,26-27,37-43,45-47H2,1-25H3,(H2,92,117)(H2,93,118)(H,95,122)(H,96,120)(H,97,127)(H,98,116)(H,99,123)(H,100,124)(H,101,129)(H,102,135)(H,103,128)(H,104,119)(H,105,121)(H,106,125)(H,107,126)(H,108,130)(H,109,131)(H,110,132)(H,111,136)(H,112,134)(H,113,133)/t49-,50-,54+,57+,58+,59+,60-,61-,90-,91-/m0/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)(CC)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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