CHEBI:215049 - Javanicol B

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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 Javanicol B
ChEBI ID CHEBI:215049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O4
Net Charge 0
Average Mass 278.348
Monoisotopic Mass 278.15181
InChI InChI=1S/C16H22O4/c1-3-5-10-7-12-13(8-10)20-16(19-12)9-11(6-4-2)14(17)15(16)18/h3-6,9-10,12-15,17-18H,7-8H2,1-2H3/b5-3+,6-4+/t10?,12-,13+,14-,15-,16?/m1/s1
InChIKey RBXYYWQRRZMHHX-PEQRZYRESA-N
SMILES O1C2(O[C@H]3[C@@H]1CC(/C=C/C)C3)C=C(/C=C/C)[C@H]([C@H]2O)O
Metabolite of Species Details
Penicillium javanicum (NCBI:txid28578) See: PubMed
ChEBI Ontology
Outgoing Javanicol B (CHEBI:215049) is a ketal (CHEBI:59777)
IUPAC Name
(1'R,2'R,3aR,6aS)-3',5-bis[(E)-prop-1-enyl]spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,5'-cyclopent-3-ene]-1',2'-diol