input word = C00009652

Metabolite InformationStructural formula
Name Neorautane
Formula C21H20O5
Mw 352.13107375
CAS RN 36284-97-6
C_ID C00009652 ,
InChIKey BGWFJLDAZBGWOL-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O5/c1-21(2)4-3-11-5-13-16(7-15(11)26-21)22-9-14-12-6-18-19(24-10-23-18)8-17(12)25-20(13)14/h5-8,14,20H,3-4,9-10H2,1-2H3/t14-,20-/m1/s1
SMILES CC1(C)CCc2cc3c(cc2O1)OCC1c2cc4c(cc2OC31)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia edulis Ref.
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OrganismNeorautanenia edulis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Rall,J.S.Afr.Chem.Inst.,25,(1972),25