input word = C00009658

Metabolite InformationStructural formula
Name Neorautanol
Formula C21H20O6
Mw 368.12598837
CAS RN 76165-13-4
C_ID C00009658 ,
InChIKey CWGQQELECQFCDS-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O6/c1-21(2)19(22)4-10-3-12-15(6-14(10)27-21)23-8-13-11-5-17-18(25-9-24-17)7-16(11)26-20(12)13/h3,5-7,13,19-20,22H,4,8-9H2,1-2H3/t13-,19-,20-/m0/s1
SMILES c12c(cc3c(c1)OC[C@@H]1[C@H]3Oc3c1cc1c(c3)OCO1)C[C@@H](C(O2)(C)C)O
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