| Name |
Cocciferin D2 |
| Formula |
C82H52O52 |
| Mw |
1868.14246202 |
| CAS RN |
420808-75-9 |
| C_ID |
C00045267
, 
|
| InChIKey |
BMTRLZLCNOUQLK-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C82H52O52/c83-19-1-11-29(50(98)42(19)90)31-13(3-21(85)44(92)52(31)100)75(116)129-67-28(10-124-73(11)114)127-82(71-70(67)131-76(117)14-4-22(86)45(93)53(101)32(14)33-15(77(118)133-71)5-23(87)46(94)54(33)102)134-79(120)18-7-25(89)48(96)64(112)65(18)125-26-8-17-34(56(104)49(26)97)30-12(2-20(84)43(91)51(30)99)72(113)123-9-27-66(128-78(17)119)69-68-61(109)41-40(81(122)130-68)38(59(107)63(111)60(41)108)37-39(80(121)132-69)36(57(105)62(110)58(37)106)35-16(74(115)126-27)6-24(88)47(95)55(35)103/h1-8,27-28,61,66-71,82-112H,9-10H2/t27-,28-,61-,66+,67+,68+,69-,70+,71-,82+/m1/s1 |
| SMILES |
c1(c2c(cc(c1O)O)C(=O)O[C@H]1[C@H](OC(=O)c3c(c(c(c(c3)O)O)O)Oc3c(c(c4c(c3)C(=O)O[C@H]3[C@@H](COC(=O)c5c4c(c(c(c5)O)O)O)OC(=O)c4c(c(c(c(c4)O)O)O)c4c(O)c(c(c5c4C(=O)O[C@H]3[C@H]3OC(=O)c4c5c(c(c(c4[C@H]3O)O)O)O)O)O)O)O)O[C@H]3[C@@H]([C@@H]1OC(=O)c1c2c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1c1c(C(=O)OC3)cc(c(c1O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Quercus coccifera  | Ref. |
|
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