input word = C00038757

Metabolite InformationStructural formula
Name Chrysaibol
Formula C77H123N19O20
Mw 1633.91917751
CAS RN 1057315-89-5
C_ID C00038757 ,
InChIKey QPUNGWMGFPBBBY-BUFCIZBPNA-N
InChICode InChI=1S/C77H123N19O20/c1-21-39(5)55(89-67(112)73(11,12)93-68(113)75(15,16)91-60(104)49(83-42(8)97)36-43-37-81-45-27-24-23-26-44(43)45)63(107)87-54(38(3)4)62(106)85-48(31-34-53(80)100)59(103)90-74(13,14)69(114)95-76(17,18)70(115)94-72(9,10)66(111)86-47(30-33-52(79)99)58(102)88-56(40(6)22-2)64(108)92-77(19,20)71(116)96-35-25-28-50(96)61(105)84-46(29-32-51(78)98)57(101)82-41(7)65(109)110/h23-24,26-27,37-41,46-50,54-56,81H,21-22,25,28-36H2,1-20H3,(H2,78,98)(H2,79,99)(H2,80,100)(H,82,101)(H,83,97)(H,84,105)(H,85,106)(H,86,111)(H,87,107)(H,88,102)(H,89,112)(H,90,103)(H,91,104)(H,92,108)(H,93,113)(H,94,115)(H,95,114)(H,109,110)/t39-,40+,41-,46-,47-,48-,49-,50-,54-,55-,56-/m0/s1
SMILES c1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)O)C)(C)C)[C@@H](CC)C)CCC(=O)N)(C)C)(C)C)(C)C)CCC(=O)N)C(C)C)[C@@H](C)CC)(C)C)(C)C)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Sepedonium chrysospermum Ref.
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OrganismSepedonium chrysospermum
ReferenceMitova,J.Nat.Prod.,71,(2008),1600