input word = C00033621

Metabolite InformationStructural formula
Name Agrostonin
(-)-Agrostonin
Formula C32H26O8
Mw 538.16276781
CAS RN 206440-85-9
C_ID C00033621 ,
InChIKey YPXFNDKNNGQAKQ-UHFFFAOYSA-N
InChICode InChI=1S/C32H26O8/c1-37-25-11-19-15(9-21(25)33)5-7-17-29(19)27(39-3)13-23(35)31(17)32-18-8-6-16-10-22(34)26(38-2)12-20(16)30(18)28(40-4)14-24(32)36/h5-14,33-36H,1-4H3
SMILES c1(c(cc2c(c1)c1c(cc2)c(c(cc1OC)O)c1c(cc(c2c1ccc1c2cc(c(c1)O)OC)OC)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeAgrostophyllum callosum Ref.
PlantaeOrchidaceaeAgrostophyllum khasiyanum Ref.
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OrganismAgrostophyllum khasiyanum
ReferenceKovacs,Phytochem.,69,(2008),1084