| Name |
Geraniinic acid C |
| Formula |
C41H28O27 |
| Mw |
952.0817957 |
| CAS RN |
246872-68-4 |
| C_ID |
C00035322
, 
|
| InChIKey |
WYUXUOKOWFMOCI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)36(57)68-41-34-33-31(65-40(61)12-6-19(47)64-32(35(55)56)23(12)22-11(39(60)67-34)5-17(46)27(51)30(22)54)18(63-41)7-62-37(58)9-3-15(44)25(49)28(52)20(9)21-10(38(59)66-33)4-16(45)26(50)29(21)53/h1-6,18,23,31-34,41-46,48-54H,7H2,(H,55,56)/t18-,23+,31-,32+,33+,34-,41+/m1/s1 |
| SMILES |
O=C1C=C2C(=O)OC3C4COC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC3C(OC(=O)c3cc(O)c(O)c(O)c3C2C(C(=O)O)O1)C(OC(=O)c1cc(O)c(O)c(O)c1)O4 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Geraniaceae | Geranium thunbergii | Ref. |
|
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