input word = C00019716

Metabolite InformationStructural formula
Name Madhusalmone
Formula C40H36O16
Mw 772.20033511
CAS RN 771531-47-6
C_ID C00019716 ,
InChIKey FFVBCRJYIPNWDG-UHFFFAOYSA-N
InChICode InChI=1S/C40H36O16/c1-43-25-9-19(10-26(44-2)35(25)47-5)21-15-51-23-13-29-37(39(49-7)31(23)33(21)41)55-17-54-30-14-24-32(40(50-8)38(30)56-18-53-29)34(42)22(16-52-24)20-11-27(45-3)36(48-6)28(12-20)46-4/h9-16H,17-18H2,1-8H3
SMILES c1c(c(=O)c2c(o1)cc1c(c2OC)OCOc2c(OCO1)c(c1c(c2)occ(c1=O)c1cc(c(c(c1)OC)OC)OC)OC)c1cc(c(c(c1)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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OrganismMadhuca longifolia
ReferenceSiddiqui,Helv. Chim. Acta,87,(2004),1194