CHEBI:191713 - Sudachiin C

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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 Sudachiin C
ChEBI ID CHEBI:191713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H34O17
Net Charge 0
Average Mass 666.585
Monoisotopic Mass 666.17960
InChI InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(34)44-10-18-21(35)23(37)24(38)29(46-18)47-28-26(41-3)22(36)20-15(33)8-16(45-25(20)27(28)42-4)13-5-6-14(32)17(7-13)40-2/h5-8,12,18,21,23-24,29,32,35-39H,9-11H2,1-4H3
InChIKey CHERSZWRLITUDE-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(OC)=C3OC(=CC(=O)C3=C(O)C2OC)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)(COC=O)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Sudachiin C (CHEBI:191713) is a flavonoids (CHEBI:72544)
Sudachiin C (CHEBI:191713) is a glycoside (CHEBI:24400)
IUPAC Name
[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 4-ormyloxy-3-hydroxy-3-methylbutanoate
Manual Xref Database
HMDB0039088 HMDB
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