| Name |
Paeonianin D |
| Formula |
C75H54O47 |
| Mw |
1706.18353897 |
| CAS RN |
558460-59-6 |
| C_ID |
C00044998
, 
|
| InChIKey |
IADPIYNHCXUODW-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)117-61-36(115-75(122-69(107)18-7-29(82)48(92)30(83)8-18)65(121-68(106)17-5-27(80)47(91)28(81)6-17)64(61)119-67(105)16-3-25(78)46(90)26(79)4-16)14-114-71(109)20-10-32(85)52(96)56(100)40(20)43-42-44-41(57(101)59(103)58(42)102)39-22(12-34(87)51(95)55(39)99)73(111)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-21(72(110)116-60)11-33(86)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2/t35-,36-,43-,60-,61+,62+,63-,64-,65+,75-/m0/s1 |
| SMILES |
c1(c(cc2c(c1O)c1c3C(=O)O[C@@H]([C@@H](OC2=O)[C@@H]2[C@H](COC(=O)c4c(c5c(C(=O)O2)cc(c(c5O)O)O)c(c(c(c4)O)O)O)O)[C@H](c3c(c(c1O)O)O)c1c(C(=O)OC[C@H]2[C@H]([C@@H]([C@H]([C@H](OC(=O)c3cc(c(c(c3)O)O)O)O2)OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)cc(c(c1O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Paeoniaceae | Paeonia albiflora  | Ref. |
| Plantae | Paeoniaceae | Paeonia lactiflora | Ref. |
|
|
zoom in
| Organism | Paeonia lactiflora |
|---|
| Reference | Tanaka,J.Nat.Prod.,66,(2003),759 |
|---|
|
