| Name |
Trilobatin J
(-)-Trilobatin J |
| Formula |
C52H46O26 |
| Mw |
1086.22773165 |
| CAS RN |
543725-41-3 |
| C_ID |
C00037949
, 
|
| InChIKey |
SQEKKTRQFRWOBO-DFGVJYIGNA-N |
| InChICode |
InChI=1S/C52H46O26/c53-19-35(63)45-47(77-41(65)9-3-21-1-6-27(55)30(58)11-21)37(17-39(73-45)49(67)68)75-51(71)26-13-24-15-33(61)34(62)16-25(24)43(23-5-8-29(57)32(60)14-23)44(26)52(72)76-38-18-40(50(69)70)74-46(36(64)20-54)48(38)78-42(66)10-4-22-2-7-28(56)31(59)12-22/h1-18,35-38,43-48,53-64H,19-20H2,(H,67,68)(H,69,70)/b9-3+,10-4+/t35-,36+,37+,38+,43+,44+,45+,46+,47+,48+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](C(O)CO)OC(C(=O)O)=C[C@H]1OC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)O[C@@H]1C=C(C(=O)O)O[C@H](C(O)CO)[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lepidoziaceae | Bazzania trilobata | Ref. |
|
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