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 c12c3c(c(c(c1O[C@@H](C[C@@H]2O[C@H]1[C@H](O3)O[C@@H]([C@H]([C@@H]1O)O)CO)c1ccc(cc1)OC)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeAbacopteris penangiana Ref.
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OrganismAbacopteris penangiana
ReferenceZhao,J.Nat.Prod.,69,(2006),265