input word = C00059490

Metabolite InformationStructural formula
Name Mallonin
Formula C33H28O24
Mw 808.09705183
CAS RN 124890-19-3
C_ID C00059490
InChIKey GIADMMRDAJABJM-UHFFFAOYSA-N
InChICode InChI=1S/C33H28O24/c34-5-13-19-18(42)21(26(51-13)55-24(43)7-1-9(35)16(40)10(36)2-7)52-25(44)8-3-11(37)17(41)20-15(8)22-29(27(45)53-19)4-14(39)31(47,32(22,48)56-20)57-30(29)28(46)54-23-12(38)6-50-33(23,30)49/h1-3,12-13,18-19,21-23,26,34-38,40-42,47-49H,4-6H2
SMILES O=C(OC1OC(CO)C2OC(=O)C34CC(=O)C(O)(OC35C(=O)OC3C(O)COC35O)C3(O)Oc5c(O)c(O)cc(c5C34)C(=O)OC1C2O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
Referencehttps://doi.org/10.1021/np010370g

https://doi.org/10.1080/14786419.2015.1137573