CHEBI:216255 - Helotialin A

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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 Helotialin A
ChEBI ID CHEBI:216255
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H30O6
Net Charge 0
Average Mass 402.487
Monoisotopic Mass 402.20424
InChI InChI=1S/C23H30O6/c1-4-5-6-7-8-9-10-11-16(24)13-19-18-14-29-15(2)12-17(18)20(22(26)27)21(25)23(19,3)28/h10-12,14,19,28H,4-9,13H2,1-3H3,(H,26,27)/b11-10+/t19-,23-/m1/s1
InChIKey KPENYWVACGTNKL-OTXYMOGGSA-N
SMILES O=C1C(=C2C(=COC(=C2)C)[C@H]([C@]1(O)C)CC(=O)/C=C/CCCCCCC)C(=O)O
ChEBI Ontology
Outgoing Helotialin A (CHEBI:216255) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(7R,8R)-7-hydroxy-3,7-dimethyl-6-oxo-8-[(E)-2-oxoundec-3-enyl]-8H-isochromene-5-carboxylic acid
Manual Xref Database
78441149 ChemSpider
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