| Name |
Gemin C |
| Formula |
C68H50O44 |
| Mw |
1570.16749498 |
| CAS RN |
84744-47-8 |
| C_ID |
C00035320
, 
|
| InChIKey |
YKLNPEYKZHHXKJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H50O44/c69-12-33-47(88)55(107-59(94)14-1-22(70)39(80)23(71)2-14)57(109-60(95)15-3-24(72)40(81)25(73)4-15)67(104-33)111-61(96)16-5-26(74)41(82)32(6-16)103-53-21(11-31(79)46(87)52(53)93)66(101)112-68-58-56(108-64(99)19-9-29(77)44(85)50(91)37(19)38-20(65(100)110-58)10-30(78)45(86)51(38)92)54-34(105-68)13-102-62(97)17-7-27(75)42(83)48(89)35(17)36-18(63(98)106-54)8-28(76)43(84)49(36)90/h1-11,33-34,47,54-58,67-93H,12-13H2/t33-,34+,47-,54+,55+,56-,57+,58-,67-,68+/m0/s1 |
| SMILES |
[C@@H]12[C@@H](OC(=O)c3c(c4c(C(=O)O1)cc(c(c4O)O)O)c(c(c(c3)O)O)O)[C@H]1[C@H](O[C@@H]2OC(=O)c2c(c(c(c(c2)O)O)O)Oc2c(c(cc(c2)C(=O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)O)O)COC(=O)c2c(c3c(C(=O)O1)cc(c(c3O)O)O)c(c(c(c2)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Geum japonicum  | Ref. |
|
|
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