input word = C00009585

Metabolite InformationStructural formula
Name Neobanone
12a-Methoxyerosone
Formula C21H18O7
Mw 382.10525293
CAS RN 61419-05-4
C_ID C00009585 ,
InChIKey DGLSPEHHYIIOPE-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O7/c1-23-17-7-13-16(9-18(17)24-2)27-10-19-21(13,25-3)20(22)12-6-11-4-5-26-14(11)8-15(12)28-19/h4-9,19H,10H2,1-3H3/t19-,21+/m0/s1
SMILES c12c(cc3c(c1)O[C@@H]1[C@@](C3=O)(c3cc(c(cc3OC1)OC)OC)OC)cco2
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

Oberholzer,Phytochem.,15,(1976),1283