| Name |
Oenothein B |
| Formula |
C68H48O44 |
| Mw |
1568.15184491 |
| CAS RN |
104987-36-2 |
| C_ID |
C00035356
, 
|
| InChIKey |
MGFJAOIDAUFIHI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H48O44/c69-11-35-59(111-61(95)15-1-23(71)41(81)24(72)2-15)57-32(80)14-104-64(98)19-9-33(47(87)51(91)39(19)38-18(65(99)109-57)6-28(76)44(84)50(38)90)105-55-21(7-29(77)45(85)53(55)93)67(101)108-36(12-70)60(112-62(96)16-3-25(73)42(82)26(74)4-16)58-31(79)13-103-63(97)17-5-27(75)43(83)49(89)37(17)40-20(66(100)110-58)10-34(48(88)52(40)92)106-56-22(68(102)107-35)8-30(78)46(86)54(56)94/h1-12,31-32,35-36,57-60,71-94H,13-14H2/t31-,32-,35+,36-,57+,58+,59-,60+/m1/s1 |
| SMILES |
c12Oc3c(c(c(cc3C(=O)O[C@H]([C@H]([C@@H]3[C@@H](COC(=O)c4cc(Oc5c(C(=O)O[C@@H]([C@@H]([C@H]6OC(=O)c(c(c7c(c(c(O)cc7C(=O)OC[C@H]6O)O)O)c(c1O)O)c2)OC(=O)c1cc(c(c(c1)O)O)O)C=O)cc(c(c5O)O)O)c(c(c4c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)C=O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lythraceae | Cuphea hyssopifolia | Ref. |
| Plantae | Lythraceae | Punica granatum  | Ref. |
| Plantae | Onagraceae | Oenothera biennis | Ref. |
| Plantae | Onagraceae | Oenothera erythrosepara | Ref. |
| Plantae | Onagraceae | Oenothera tetraptera | Ref. |
| - | - | Chamaenerion angustifolium | Ref. |
|
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