input word = C00038852

Metabolite InformationStructural formula
Name Corticiamide A
Formula C80H112Br2N20O22S
Mw 1894.63475194
CAS RN 936720-46-6
C_ID C00038852 ,
InChIKey GBNMVMAUEMBTAU-UHFFFAOYNA-N
InChICode InChI=1S/C80H112Br2N20O22S/c1-11-80(7,8)65(99-73(115)57-19-15-31-102(57)76(118)54(94-66(108)41(4)90-39-103)33-45-22-26-48(82)27-23-45)75(117)96-62(40(2)3)74(116)93-53(34-46-36-88-50-17-13-12-16-49(46)50)68(110)91-51(18-14-30-87-79(85)86)67(109)95-55(38-125(121,122)123)70(112)98-64-43(6)124-61(107)37-89-71(113)58(35-60(84)106)101(10)77(119)63(42(5)104)97-69(111)52(32-44-20-24-47(81)25-21-44)92-72(114)56(28-29-59(83)105)100(9)78(64)120/h12-13,16-17,20-27,36,39-43,51-58,62-65,88,104H,11,14-15,18-19,28-35,37-38H2,1-10H3,(H2,83,105)(H2,84,106)(H,89,113)(H,90,103)(H,91,110)(H,92,114)(H,93,116)(H,94,108)(H,95,109)(H,96,117)(H,97,111)(H,98,112)(H,99,115)(H4,85,86,87)(H,121,122,123)/t41-,42+,43-,51-,52-,53-,54+,55-,56-,57-,58+,62+,63+,64+,65-/m1/s1
SMILES [C@@H]1([C@H](OC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](N(C1=O)C)CCC(=O)N)Cc1ccc(cc1)Br)[C@@H](O)C)C)CC(=O)N)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(CC)(C)C)NC(=O)[C@@H]1N(CCC1)C(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)[C@H](NC=O)C)Cc1c2c([nH]c1)cccc2)CCCNC(=N)N)CS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
FungiCorticiaceaeCorticium sp. Ref.
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OrganismCorticium sp.
ReferenceLaird,J.Nat.Prod.,70,(2007),741