CHEBI:222267 - Spiromastol H

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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 Spiromastol H
ChEBI ID CHEBI:222267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O6
Net Charge 0
Average Mass 358.390
Monoisotopic Mass 358.14164
InChI InChI=1S/C20H22O6/c1-4-5-12-7-14(21)10-17(24-3)19(12)26-16-9-15(22)8-13-6-11(2)25-20(23)18(13)16/h7-11,21-22H,4-6H2,1-3H3/t11-/m1/s1
InChIKey ZAIGHFQKDSUUHZ-LLVKDONJSA-N
SMILES O=C1O[C@@H](CC=2C1=C(OC3=C(OC)C=C(O)C=C3CCC)C=C(O)C2)C
Metabolite of Species Details
Spiromastigoides (NCBI:txid37234) See: PubMed
ChEBI Ontology
Outgoing Spiromastol H (CHEBI:222267) is a aromatic ether (CHEBI:35618)
IUPAC Name
(3R)-6-hydroxy-8-(4-hydroxy-2-methoxy-6-propylphenoxy)-3-methyl-3,4-dihydroisochromen-1-one
Manual Xref Database
35516946 ChemSpider
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