input word = C00026792

Metabolite InformationStructural formula
Name Phakellistatin 13
(-)-Phakellistatin 13
Formula C42H54N8O8
Mw 798.40646076
CAS RN 493012-52-5
C_ID C00026792 ,
InChIKey NZBCNLIXGSIQLY-IJTFMFGNNA-N
InChICode InChI=1S/C42H54N8O8/c1-4-24(2)34-40(56)48-36(29-22-43-30-15-9-8-14-28(29)30)42(58)50-19-11-16-31(50)38(54)44-21-27(20-26-12-6-5-7-13-26)37(53)45-23-33(52)49-18-10-17-32(49)39(55)47-35(25(3)51)41(57)46-34/h5-9,12-15,22,24-25,27,31-32,34-36,43,51H,4,10-11,16-21,23H2,1-3H3,(H,44,54)(H,45,53)(H,46,57)(H,47,55)(H,48,56)/t24-,25+,27-,31+,32-,34+,35-,36-/m0/s1
SMILES C1C[C@@H]2N(C1)C(=O)CNC(=O)[C@H](CNC(=O)[C@@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)O)[C@@H](C)CC)c1c[nH]c2c1cccc2)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaePhakellia fusca Ref.
--Stylissa caribica Ref.
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