| Name |
Oenothein A |
| Formula |
C102H72O66 |
| Mw |
2352.22776737 |
| CAS RN |
137422-98-1 |
| C_ID |
C00035355
, 
|
| InChIKey |
BJKKYEKHHYWTQZ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C102H72O66/c103-16-52(88(166-91(142)22-1-34(106)61(121)35(107)2-22)85-46(118)19-154-94(145)25-7-40(112)64(124)73(133)55(25)56-26(97(148)163-85)8-41(113)65(125)74(56)134)160-100(151)32-11-44(116)68(128)80(140)83(32)158-50-14-29-59(77(137)71(50)131)60-30-15-51(72(132)78(60)138)159-84-33(12-45(117)69(129)81(84)141)102(153)161-53(17-104)89(167-92(143)23-3-36(108)62(122)37(109)4-23)86-47(119)20-155-95(146)28-13-49(70(130)76(136)58(28)57-27(98(149)164-86)9-42(114)66(126)75(57)135)157-82-31(10-43(115)67(127)79(82)139)101(152)162-54(18-105)90(87(165-99(30)150)48(120)21-156-96(29)147)168-93(144)24-5-38(110)63(123)39(111)6-24/h1-18,46-48,52-54,85-90,106-141H,19-21H2/t46-,47+,48-,52-,53+,54-,85-,86+,87-,88+,89-,90-/m0/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(Oc8c(C(=O)O[C@H]([C@H]([C@H]9OC(=O)c%10c(c%11c(C(=O)OC[C@@H]9O)cc(c(c%11O)O)O)c(c(c(c%10)O)O)O)OC(=O)c9cc(c(c(c9)O)O)O)C=O)cc(c(c8O)O)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 | Onagraceae | Oenothera biennis  | Ref. |
| Plantae | Onagraceae | Oenothera erythrosepara | Ref. |
| Plantae | Onagraceae | Oenothera tetraptera | Ref. |
|
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