input word = C00041302

Metabolite InformationStructural formula
Name Abacopterin C
(-)-Abacopterin C
Formula C24H28O9
Mw 460.17333249
CAS RN 877853-98-0
C_ID C00041302 ,
InChIKey BVWNFYIRLQDZHV-OBALPHEINA-N
InChICode InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15-,16+,19+,20-,23+,24-/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]4O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeAbacopteris penangiana Ref.
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