input word = C00009649

Metabolite InformationStructural formula
Name Neorautenane
Neorautenaan
1,2-Didehydroneorautane
Formula C21H18O5
Mw 350.11542369
CAS RN 65418-33-9
C_ID C00009649 ,
InChIKey OYJSNPOSPVUTQQ-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O5/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/h3-8,14,20H,9-10H2,1-2H3/t14-,20-/m1/s1
SMILES c12c(cc3c(c1)OC[C@H]1[C@@H]3Oc3c1cc1c(c3)OCO1)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia amboensis Ref.
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OrganismNeorautanenia amboensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Breytenbach,J.Chem.Soc.Perkin Trans.,1,(1980),1804