input word = C00041301

Metabolite InformationStructural formula
Name Abacopterin B
(-)-Abacopterin B
Formula C26H30O10
Mw 502.18389718
CAS RN 877853-21-9
C_ID C00041301 ,
InChIKey RILIBNNLUUUUJS-JBCFQFHINA-N
InChICode InChI=1S/C26H30O10/c1-11-20(29)12(2)23-19-17(9-16(33-22(11)19)14-5-7-15(31-4)8-6-14)34-25-24(32-13(3)28)21(30)18(10-27)35-26(25)36-23/h5-8,16-18,21,24-27,29-30H,9-10H2,1-4H3/t16-,17-,18+,21+,24-,25+,26-/m0/s1
SMILES COc1ccc([C@@H]2C[C@@H]3O[C@H]4[C@H](Oc5c(C)c(O)c(C)c(c53)O2)O[C@H](CO)[C@@H](O)[C@@H]4OC(C)=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeAbacopteris penangiana Ref.
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