input word = C00016581

Metabolite InformationStructural formula
Name Chrysospermin B
Formula C90H142N22O23
Mw 1899.06181901
CAS RN 160791-54-8
C_ID C00016581 ,
InChIKey WWARUSJGNRGPLH-UHFFFAOYNA-N
InChICode InChI=1S/C90H142N22O23/c1-26-90(25,80(135)111-89(23,24)78(133)110-88(21,22)77(132)109-83(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)112-79(134)87(19,20)104-65(120)49(5)95-64(119)48(4)96-71(126)82(9,10)107-75(130)85(15,16)103-63(118)44-94-66(121)56(36-38-61(91)116)99-68(123)58(40-47(2)3)101-74(129)84(13,14)108-76(131)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/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,101,129)(H,102,127)(H,103,118)(H,104,120)(H,105,124)(H,106,125)(H,107,130)(H,108,131)(H,109,132)(H,110,133)(H,111,135)(H,112,134)/t48-,49-,53+,56-,57+,58+,59+,60+,90+/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)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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