input word = C00009519

Metabolite InformationStructural formula
Name Isoauriculatin
Formula C25H24O6
Mw 420.1572885
CAS RN 30431-67-5
C_ID C00009519 ,
InChIKey JVMXBCHVJJXDDN-UHFFFAOYSA-N
InChICode InChI=1S/C25H24O6/c1-14(2)8-10-29-15-5-6-16(19(26)11-15)18-13-30-21-12-20-17(7-9-25(3,4)31-20)23(27)22(21)24(18)28/h5-9,11-13,26-27H,10H2,1-4H3
SMILES c12c(c(c3c(c1)occ(c3=O)c1c(cc(cc1)OCC=C(C)C)O)O)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia auriculata Ref.
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