input word = C00049778

Metabolite InformationStructural formula
Name Axinastatin 4
Formula C42H62N8O8
Mw 806.46906102
CAS RN 150731-25-2
C_ID C00049778 ,
InChIKey ZATKCOQFERAZOU-BJLNSTPYNA-N
InChICode InChI=1S/C42H62N8O8/c1-22(2)18-29-36(52)44-31(20-26-21-43-28-13-9-8-12-27(26)28)38(54)47-34(24(5)6)41(57)49-16-10-14-32(49)39(55)46-30(19-23(3)4)37(53)48-35(25(7)51)42(58)50-17-11-15-33(50)40(56)45-29/h8-9,12-13,21-25,29-35,43,51H,10-11,14-20H2,1-7H3,(H,44,52)(H,45,56)(H,46,55)(H,47,54)(H,48,53)/t25-,29+,30+,31+,32+,33+,34+,35+/m1/s1
SMILES C1(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](N1)CC(C)C)[C@@H](C)O)CCC3)CC(C)C)Cc1c[nH]c3c1cccc3)C(C)C)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cf. bidderi Ref.
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