Name |
Phyllanthusiin B |
Formula |
C41H30O28 |
Mw |
970.09236038 |
CAS RN |
142674-51-9 |
C_ID |
C00035367
,
|
InChIKey |
FTMRULQWDFEAMK-UHFFFAOYNA-N |
InChICode |
InChI=1S/C41H30O28/c42-12-1-8(2-13(43)23(12)49)35(57)69-39-33-32-29(68-40(61)41(62,6-18(47)48)22-21-11(38(60)67-33)5-16(46)26(52)30(21)65-31(22)34(55)56)17(64-39)7-63-36(58)9-3-14(44)24(50)27(53)19(9)20-10(37(59)66-32)4-15(45)25(51)28(20)54/h1-5,17,22,29,31-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,55,56)/t17-,22+,29-,31+,32+,33-,39-,41-/m0/s1 |
SMILES |
O1C(=O)c2cc(c(c(c2c2c(C(=O)OC[C@@H]3O[C@H]([C@@H]4[C@H]1[C@H]3OC(=O)[C@](O)(CC(=O)O)[C@H]1[C@@H](Oc3c1c(cc(c3O)O)C(=O)O4)C(=O)O)OC(=O)c1cc(c(c(c1)O)O)O)cc(c(c2O)O)O)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Nymphaeaceae | Nymphaea alba | Ref. |
Plantae | Phyllanthaceae | Phyllanthus flexuosus | Ref. |
|
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zoom in
Organism | Phyllanthus flexuosus | Reference | Okuda,Phytochem.,66,(2005),2012 |
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