CHEBI:201251 - Aigialospirol

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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 Aigialospirol
ChEBI ID CHEBI:201251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O8
Net Charge 0
Average Mass 378.377
Monoisotopic Mass 378.13147
InChI InChI=1S/C19H22O8/c1-9-4-3-5-19(26-9)17(22)13(21)8-14(27-19)16-11-6-10(24-2)7-12(20)15(11)18(23)25-16/h3,5-7,9,13-14,16-17,20-22H,4,8H2,1-2H3/t9-,13-,14+,16-,17-,19+/m0/s1
InChIKey XOJJZYZCRNGOFV-YLZOTCFESA-N
SMILES O=C1O[C@H]([C@@H]2O[C@@]3(O[C@H](CC=C3)C)[C@@H](O)[C@H](C2)O)C=4C1=C(O)C=C(OC)C4
Metabolite of Species Details
Aigialus (NCBI:txid193126) See: PubMed
ChEBI Ontology
Outgoing Aigialospirol (CHEBI:201251) is a benzofurans (CHEBI:35259)
IUPAC Name
(3S)-3-[(2R,4S,5S,6R,8S)-4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-7-hydroxy-5-methoxy-3H-2-benzouran-1-one
Manual Xref Database
8266584 ChemSpider
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