CHEBI:217403 - Sordarin-3-carboxylic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sordarin-3-carboxylic acid
ChEBI ID CHEBI:217403
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O9
Net Charge 0
Average Mass 508.608
Monoisotopic Mass 508.26723
InChI InChI=1S/C27H40O9/c1-12(2)18-8-15-9-26(23(30)31)17-7-6-13(3)16(17)10-25(15,27(18,26)24(32)33)11-35-22-20(29)19(28)21(34-5)14(4)36-22/h8,12-17,19-22,28-29H,6-7,9-11H2,1-5H3,(H,30,31)(H,32,33)/t13-,14?,15?,16-,17-,19?,20?,21?,22?,25?,26?,27?/m1/s1
InChIKey VAVQCGVUDQEFIZ-GQCQILQESA-N
SMILES O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C(=O)O)C3)CC[C@H]4C)COC5OC(C(OC)C(C5O)O)C)C(C)C
Metabolite of Species Details
Saccharothrix mutabilis subsp. capreolus (NCBI:txid66854) See: PubMed
ChEBI Ontology
Outgoing Sordarin-3-carboxylic acid (CHEBI:217403) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(4R,5R,8R)-2-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1,9-dicarboxylic acid
Manual Xref Database
78445420 ChemSpider
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