| Name |
Pelargoniin A |
| Formula |
C40H30O26 |
| Mw |
926.10253114 |
| CAS RN |
302780-07-0 |
| C_ID |
C00037605
, 
|
| InChIKey |
XCUHVJOOUUWHHO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C40H30O26/c41-12-1-8(2-13(42)23(12)47)34(55)66-38-33-32-31(65-39(59)40(60)6-17(46)24(48)22(40)21-11(37(58)64-33)5-16(45)27(51)30(21)54)18(62-38)7-61-35(56)9-3-14(43)25(49)28(52)19(9)20-10(36(57)63-32)4-15(44)26(50)29(20)53/h1-5,17-18,22,31-33,38,41-47,49-54,60H,6-7H2/t17-,18-,22+,31+,32+,33-,38-,40+/m0/s1 |
| SMILES |
O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC3C2OC(=O)C2(O)CC(O)C(=O)C2c2c(cc(O)c(O)c2O)C(=O)OC13)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Geraniaceae | Pelargonium reniforme | Ref. |
|
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