input word = C00046303

Metabolite InformationStructural formula
Name Phyllanemblinin C
Formula C41H30O28
Mw 970.09236038
CAS RN 393529-37-8
C_ID C00046303 ,
InChIKey JPFWNDBMKIVWMS-UHFFFAOYNA-N
InChICode InChI=1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)34(55)68-39-33-32-30(65-38(59)12(6-19(47)48)23-22-11(37(58)67-33)5-17(46)27(52)31(22)69-41(23,62)40(60)61)18(64-39)7-63-35(56)9-3-15(44)25(50)28(53)20(9)21-10(36(57)66-32)4-16(45)26(51)29(21)54/h1-5,12,18,23,30,32-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,60,61)/t12-,18-,23-,30-,32+,33-,39+,41+/m1/s1
SMILES [C@H]12[C@](Oc3c1c(cc(c3O)O)C(=O)O[C@@H]1[C@@H]3[C@H](OC(=O)[C@@H]2CC(=O)O)[C@H](O[C@H]1OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1c1c(C(=O)O3)cc(c(c1O)O)O)O)O)O)(C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
ReferenceZhang,J.Nat.Prod.,64,(2001),1527