| Name |
Agrimoniin |
| Formula |
C82H54O52 |
| Mw |
1870.15811208 |
| CAS RN |
82203-01-8 |
| C_ID |
C00002907
, 
|
| InChIKey |
BZAFROBDXRJYTQ-XOVMCUSXNA-N |
| InChICode |
InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2/t35-,36-,65-,66+,67+,68+,69-,70-,81-,82+/m1/s1 |
| SMILES |
[C@@H]12[C@H]3[C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1c1c(c(c(cc1C(=O)O2)O)O)O)O)O)O)OC(=O)c1c(c(c(c(c1)O)O)O)Oc1c(c(cc(c1)C(=O)O[C@@H]1[C@H]2[C@H]([C@H]4[C@H](O1)COC(=O)c1cc(c(c(c1c1c(C(=O)O4)cc(c(c1O)O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O2)O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Agrimonia japonica  | Ref. |
| Plantae | Rosaceae | Agrimonia pilosa | Ref. |
| Plantae | Rosaceae | Potentilla kleiniana | Ref. |
|
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