input word = C00015924

Metabolite InformationStructural formula
Name Cephaibol B
Formula C83H129N17O20
Mw 1683.95997969
CAS RN 304911-39-5
C_ID C00015924 ,
InChIKey DGKRSIOCIYNNHE-PAHMPGSHNA-N
InChICode InChI=1S/C83H129N17O20/c1-20-81(17,97-70(115)78(11,12)95-69(114)77(9,10)94-68(113)76(7,8)90-63(108)56(86-48(6)102)40-50-32-27-24-28-33-50)71(116)85-43-61(106)88-55(38-47(4)5)64(109)92-82(18,21-2)72(117)96-80(15,16)74(119)99-44-52(103)41-58(99)66(111)89-54(35-36-60(84)105)62(107)93-83(19,22-3)75(120)100-45-53(104)42-59(100)67(112)91-79(13,14)73(118)98-37-29-34-57(98)65(110)87-51(46-101)39-49-30-25-23-26-31-49/h23-28,30-33,47,51-59,101,103-104H,20-22,29,34-46H2,1-19H3,(H2,84,105)(H,85,116)(H,86,102)(H,87,110)(H,88,106)(H,89,111)(H,90,108)(H,91,112)(H,92,109)(H,93,107)(H,94,113)(H,95,114)(H,96,117)(H,97,115)/t51-,52-,53-,54+,55+,56+,57+,58+,59+,81-,82-,83-/m1/s1
SMILES c1(C[C@@H](C(=O)NC(C)(C(=O)NC(C)(C(=O)NC(C)(C)C(=O)N[C@](C)(CC)C(=O)NCC(=O)N[C@H](C(=O)N[C@@](C)(C(=O)NC(C)(C)C(=O)N2[C@@H](C[C@H](C2)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@](C(=O)N2C[C@@H](C[C@H]2C(=O)NC(C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CO)Cc2ccccc2)(C)C)O)(C)CC)CC)CC(C)C)C)C)NC(=O)C)ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium tubakii DSM 12774 Ref.
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