input word = C00027848

Metabolite InformationStructural formula
Name Anachelin
Anachelin 1
Formula C35H49N6O13
Mw 761.3357607
CAS RN 326490-91-9
C_ID C00027848 ,
InChIKey OCPGDSBMGHZPQN-PVJYRUERNA-O
InChICode InChI=1S/C35H48N6O13/c1-17(44)31(40-30(50)11-20(45)10-27(47)24-16-54-35(39-24)21-6-4-5-7-26(21)46)34(53)38-23(15-43)33(52)37-22(14-42)32(51)36-19-8-18-9-28(48)29(49)12-25(18)41(2,3)13-19/h4-7,9,12,17,19-20,22-24,27,31,42-45,47H,8,10-11,13-16H2,1-3H3,(H6-,36,37,38,39,40,46,48,49,50,51,52,53)/p+1/t17-,19+,20-,22+,23-,24+,27+,31+/m1/s1
SMILES C[C@@H](O)[C@H](NC(=O)C[C@H](O)C[C@H](O)[C@@H]1COC(c2ccccc2O)=N1)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 Ref.
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OrganismAnabaena cylindrica
ReferenceBeiderbeck,Z.Naturforsch.C.Biosci.,55,(2000),681