input word = C00031595

Metabolite InformationStructural formula
Name Anabaenopeptilide 90-A
Formula C46H64N8O14
Mw 952.45419881
CAS RN 173429-62-4
C_ID C00031595 ,
InChIKey OWICVIMBSMKDHR-UHFFFAOYNA-N
InChICode InChI=1S/C46H64N8O14/c1-7-24(2)37-46(66)68-26(4)38(52-40(60)31(48-23-55)18-20-35(47)58)43(63)49-32(17-12-27-8-13-29(57)14-9-27)41(61)50-33-19-21-36(59)54(44(33)64)39(25(3)56)45(65)53(5)34(42(62)51-37)22-28-10-15-30(67-6)16-11-28/h8-11,13-16,23-26,31-34,36-39,56-57,59H,7,12,17-22H2,1-6H3,(H2,47,58)(H,48,55)(H,49,63)(H,50,61)(H,51,62)(H,52,60)/t24-,25+,26-,31-,32-,33-,34+,36+,37+,38-,39+/m1/s1
SMILES CCC(C)C1NC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C(C(C)O)N2C(=O)C(CCC2O)NC(=O)C(CCc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCC(N)=O)NC=O)C(C)OC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAnabaena sp. 202A2/41 Ref.
PlantaeEuphorbiaceaeAnabaena sp. 90 Ref.
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OrganismAnabaena sp. 90
ReferenceHarada,Chem.Pharm.Bull.,52,(2004),889