| Name |
Paeonianin A |
| Formula |
C75H54O47 |
| Mw |
1706.18353897 |
| CAS RN |
558460-56-3 |
| C_ID |
C00044995
, 
|
| InChIKey |
XHQYOOKVUXMDOV-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(117-67(105)16-3-25(78)46(90)26(79)4-16)64(119-68(106)17-5-27(80)47(91)28(81)6-17)65(75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)121-73(111)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)72(110)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)38-20(71(109)116-60)10-32(85)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-/m1/s1 |
| SMILES |
O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2C2c3c(O)c(O)c(O)c4c3C(=O)OC2C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OCC2O)OC(=O)c2cc(O)c(O)c(O)c2-4)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Paeoniaceae | Paeonia albiflora  | Ref. |
| Plantae | Paeoniaceae | Paeonia lactiflora | Ref. |
|
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