| PDB CCD ID: | A1IH2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H22 O12 |
| InChI: | InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-24(25(38-20)27(35)36)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24+,25+/m1/s1 |
| InChIKey: | OYJXZGLYUDCECY-RXYMDKBQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc3c(c2)O[C@H]([C@H](O3)C(=O)O)c4ccc(c(c4)O)O)O)O | | CACTVS 3.385 | OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc3O[C@@H]([C@@H](Oc3c2)c4ccc(O)c(O)c4)C(O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1CC(C(=O)O)OC(=O)C=Cc2ccc3c(c2)OC(C(O3)C(=O)O)c4ccc(c(c4)O)O)O)O | | CACTVS 3.385 | OC(=O)[CH](Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc3O[CH]([CH](Oc3c2)c4ccc(O)c(O)c4)C(O)=O |
|
| Name: | Salvianolic acid P;
(2~{S},3~{S})-3-[3,4-bis(oxidanyl)phenyl]-6-[(~{E})-3-[(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid |
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