| Name |
Cocciferin D1 |
| Formula |
C75H56O48 |
| Mw |
1724.19410366 |
| CAS RN |
418770-56-6 |
| C_ID |
C00045266
, 
|
| InChIKey |
REZBVFLHMLXZQX-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C75H56O48/c76-16-44(116-67(105)20-3-30(79)49(93)31(80)4-20)62(119-68(106)21-5-32(81)50(94)33(82)6-21)61(42(91)17-113-66(104)19-1-28(77)48(92)29(78)2-19)118-74(112)27-14-41(90)55(99)59(103)60(27)115-43-15-26-47(58(102)56(43)100)46-25(13-40(89)54(98)57(46)101)73(111)120-63-45(18-114-72(26)110)117-75(123-71(109)24-11-38(87)53(97)39(88)12-24)65(122-70(108)23-9-36(85)52(96)37(86)10-23)64(63)121-69(107)22-7-34(83)51(95)35(84)8-22/h1-16,42,44-45,61-65,75,77-103H,17-18H2/t42-,44-,45+,61-,62-,63+,64-,65+,75-/m0/s1 |
| SMILES |
C(=O)(O[C@H]1[C@H](OC(=O)c2cc(c(c(c2)O)O)O)O[C@H]2[C@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)Oc2c(c(c(cc2C(=O)O[C@H]([C@@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@H](C=O)OC(=O)c2cc(c(c(c2)O)O)O)[C@@H](O)COC(=O)c2cc(c(c(c2)O)O)O)O)O)O)c(O)c(c(c1)O)O)c1cc(c(c(c1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Quercus coccifera  | Ref. |
|
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