input word = C00048812

Metabolite InformationStructural formula
Name Phenazine A
Formula C47H30N2O24
Mw 1006.11884991
CAS RN 62327-58-6
C_ID C00048812 ,
InChIKey MNDQTCDBJLXNSI-OJFKIMEENA-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/h1-10,25-26,39-41,47,50-58,60-62H,11H2/t25-,26-,39-,40-,41-,47+/m1/s1
SMILES [C@H]1(O[C@H]2[C@@H]3[C@H]([C@H]1OC(=O)C1=Cc4c(C(=O)[C@H]1c1c(C(=O)O3)cc(c(c1O)O)O)nc1c(n4)cccc1)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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OrganismHalichondria panicea
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165