input word = C00048813

Metabolite InformationStructural formula
Name Phenazine B
Formula C47H30N2O24
Mw 1006.11884991
CAS RN 62327-59-7
C_ID C00048813 ,
InChIKey UBJMIJNUABNTIE-YBJAOFRONA-N
InChICode InChI=1S/C47H30N2O24/c50-20-5-12(6-21(51)31(20)55)42(63)73-47-41-40-39(25(69-47)11-68-43(64)14-8-22(52)32(56)36(60)27(14)29-16(46(67)71-40)10-24(54)34(58)38(29)62)70-45(66)15-9-23(53)33(57)37(61)28(15)26-13(44(65)72-41)7-19-30(35(26)59)49-18-4-2-1-3-17(18)48-19/h1-10,25,39-41,47,50-62H,11H2/t25-,39-,40-,41+,47+/m1/s1
SMILES [C@H]1(O[C@H]2[C@@H]3[C@H]([C@@H]1OC(=O)c1c(c4c(C(=O)O3)cc(c(c4O)O)O)c(c3c(c1)nc1c(n3)cccc1)O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeHalichondria panicea Ref.
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