| Name |
Gemin A |
| Formula |
C82H56O52 |
| Mw |
1872.17376215 |
| CAS RN |
82220-61-9 |
| C_ID |
C00002925
, 
|
| InChIKey |
JXIJYPYNRSKQME-ZXNVXHKANA-N |
| InChICode |
InChI=1S/C82H56O52/c83-27-1-16(2-28(84)48(27)96)71(112)129-67-65-39(14-122-74(115)20-8-32(88)51(99)57(105)41(20)19-7-25(79(120)128-65)47(95)62(110)46(19)94)125-81(69(67)131-72(113)17-3-29(85)49(97)30(86)4-17)133-73(114)18-5-31(87)50(98)38(6-18)124-64-26(13-37(93)56(104)63(64)111)80(121)134-82-70-68(130-77(118)23-11-35(91)54(102)60(108)44(23)45-24(78(119)132-70)12-36(92)55(103)61(45)109)66-40(126-82)15-123-75(116)21-9-33(89)52(100)58(106)42(21)43-22(76(117)127-66)10-34(90)53(101)59(43)107/h1-13,39-40,65-70,81-111H,14-15H2/t39-,40-,65-,66-,67+,68+,69-,70-,81-,82+/m1/s1 |
| SMILES |
[C@H]12[C@H]3[C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1c1c(c(c(cc1C(=O)O2)O)O)O)O)O)O)OC(=O)c1c(c(c(c(c1)O)O)O)Oc1c(c(cc(c1)C(=O)O[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(=O)c1c(c(c(c(c1)O)O)O)c1c(c(c(c(C(=O)O2)c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Geum japonicum  | Ref. |
|
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