Canonical SMILES
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CC(=O)OC(C(Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)(C(C2O)OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O
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Isomeric SMILES
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CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O
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InChI
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InChI=1S/C42H54O15/c1-27(33(54-29(3)43)28(2)26-30-18-12-10-13-19-30)23-24-40-34(45)35(42(57-40,39(50)51)41(52,38(48)49)36(56-40)37(46)47)55-32(44)22-16-8-6-4-5-7-9-17-25-53-31-20-14-11-15-21-31/h10-15,18-21,28,33-36,45,52H,1,4-9,16-17,22-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1
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InChI Key
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MNIPVWXWSPXERA-IDNZQHFXSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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