CHEBI:201472 - Sordarin sodium salt

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ChEBI Name Sordarin sodium salt
ChEBI ID CHEBI:201472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H39O8.Na
Net Charge 0
Average Mass 514.591
Monoisotopic Mass 514.25426
InChI InChI=1S/C27H40O8.Na/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23;/h8,11,13-18,20-23,29-30H,6-7,9-10,12H2,1-5H3,(H,31,32);/q;+1/p-1
InChIKey ILUKWKGTAAZHDW-UHFFFAOYSA-M
SMILES [Na+].O=C([O-])C12C(=CC3C1(CC4C(C2(C=O)C3)CCC4C)COC5OC(C(OC)C(C5O)O)C)C(C)C
ChEBI Ontology
Outgoing Sordarin sodium salt (CHEBI:201472) is a terpene glycoside (CHEBI:61777)
IUPAC Name
sodium;2-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
Manual Xref Database
28467767 ChemSpider
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