CHEBI:182208 - Oreganol

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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 Oreganol
ChEBI ID CHEBI:182208
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O11
Net Charge 0
Average Mass 438.385
Monoisotopic Mass 438.11621
InChI InChI=1S/C20H22O11/c21-7-15-16(25)17(26)18(27)20(31-15)30-14-4-1-9(5-13(14)24)8-29-19(28)10-2-3-11(22)12(23)6-10/h1-6,15-18,20-27H,7-8H2/t15-,16-,17+,18-,20-/m1/s1
InChIKey MFOVLHFTNQGRLH-BFMVXSJESA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C=C(C=C2)COC(=O)C3=CC(O)=C(O)C=C3)CO
ChEBI Ontology
Outgoing Oreganol (CHEBI:182208) is a glycoside (CHEBI:24400)
IUPAC Name
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
Manual Xref Database
4478735 ChemSpider
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