input word = C00026876

Metabolite InformationStructural formula
Name Apicidin D3
Formula C34H51N5O6
Mw 625.3839344
CAS RN 177562-80-0
C_ID C00026876 ,
InChIKey PCPGDKJMCJKQBE-ZQOUESBMNA-N
InChICode InChI=1S/C34H51N5O6/c1-5-22(2)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-6-8-14-23(3)40)31(41)36-27(32(42)37-30)20-24-21-39(45-4)28-17-11-10-15-25(24)28/h10-11,15,17,21-23,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,23-,26-,27-,29+,30-/m0/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)[C@@H](NC1=O)[C@H](CC)C)CCCC2)CCCCCC[C@H](C)O)Cc1c2c(n(c1)OC)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sp.ATCC74289 Ref.
FungiNectriaceaeFusarium sp.ATCC74322 Ref.
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