| Name |
Gemin B |
| Formula |
C68H50O44 |
| Mw |
1570.16749498 |
| CAS RN |
84744-45-6 |
| C_ID |
C00035319
, 
|
| InChIKey |
BBVSUTXRTIIZIX-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H50O44/c69-12-33-47(88)55-57(110-65(100)20-10-30(78)45(86)51(92)38(20)37-19(64(99)107-55)9-29(77)44(85)50(37)91)67(104-33)112-66(101)21-11-31(79)46(87)52(93)53(21)103-32-6-16(5-26(74)41(32)82)61(96)111-68-58(109-60(95)15-3-24(72)40(81)25(73)4-15)56(108-59(94)14-1-22(70)39(80)23(71)2-14)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+/m1/s1 |
| SMILES |
O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Oc2c(C(=O)OC3OC(CO)C(O)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC34)cc(O)c(O)c2O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Geum japonicum  | Ref. |
|
|
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