| Name |
Rugosin E |
| Formula |
C75H54O48 |
| Mw |
1722.17845359 |
| CAS RN |
84744-51-4 |
| C_ID |
C00035387
, 
|
| InChIKey |
FJVMRJWMETUPFP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C75H54O48/c76-14-40(116-66(104)17-1-26(77)46(90)27(78)2-17)62(119-67(105)18-3-28(79)47(91)29(80)4-18)61-38(89)15-113-71(109)24-13-39(54(98)58(102)45(24)44-22(72(110)118-61)10-35(86)52(96)57(44)101)115-60-25(12-37(88)53(97)59(60)103)74(112)123-75-65(122-69(107)20-7-32(83)49(93)33(84)8-20)64(121-68(106)19-5-30(81)48(92)31(82)6-19)63-41(117-75)16-114-70(108)21-9-34(85)50(94)55(99)42(21)43-23(73(111)120-63)11-36(87)51(95)56(43)100/h1-14,38,40-41,61-65,75,77-103H,15-16H2/t38-,40+,41-,61+,62-,63+,64-,65-,75-/m1/s1 |
| SMILES |
O=CC(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(Oc3c(C(=O)OC4OC5COC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OC5C(OC(=O)c5cc(O)c(O)c(O)c5)C4OC(=O)c4cc(O)c(O)c(O)c4)cc(O)c(O)c3O)c(O)c2O)C(=O)OCC1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Rosa rugosa  | Ref. |
|
|
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