input word = C00027850

Metabolite InformationStructural formula
Name Anachelin-2
Formula C35H49N6O13
Mw 761.3357607
CAS RN 387816-76-4
C_ID C00027850 ,
InChIKey BXTHEZGZPKLTGV-XVMHDLQMNA-O
InChICode InChI=1S/C35H48N6O13/c1-17(45)31(40-30(50)11-20(46)10-29-22(14-42)39-35(54-29)21-6-4-5-7-26(21)47)34(53)38-24(16-44)33(52)37-23(15-43)32(51)36-19-8-18-9-27(48)28(49)12-25(18)41(2,3)13-19/h4-7,9,12,17,19-20,22-24,29,31,42-46H,8,10-11,13-16H2,1-3H3,(H6-,36,37,38,39,40,47,48,49,50,51,52,53)/p+1/t17-,19+,20-,22-,23+,24-,29+,31+/m1/s1
SMILES C[C@@H](O)[C@H](NC(=O)C[C@H](O)C[C@@H]1OC(c2ccccc2O)=N[C@H]1CO)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[N+](C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAnabaena cylindrica NIES-19 Ref.
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OrganismAnabaena cylindrica NIES-19
ReferenceIto,Tetrahedron,57,(2001),9093