CHEBI:221077 - Irlactin 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 Irlactin A
ChEBI ID CHEBI:221077
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O4
Net Charge 0
Average Mass 282.380
Monoisotopic Mass 282.18311
InChI InChI=1S/C16H26O4/c1-15(2)6-11-10(8-17)9-5-13(20-14(9)19-4)16(11,3)12(18)7-15/h9,12-14,17-18H,5-8H2,1-4H3/t9-,12+,13+,14-,16?/m1/s1
InChIKey LQMLAPMGWMVHIT-QXKCWUAKSA-N
SMILES O1[C@@H](OC)[C@H]2C(CO)=C3C([C@@H]1C2)([C@@H](O)CC(C3)(C)C)C
Metabolite of Species Details
Irpex lacteus (NCBI:txid5319) See: DOI
ChEBI Ontology
Outgoing Irlactin A (CHEBI:221077) is a oxolanes (CHEBI:26912)
IUPAC Name
(1S,3S,9R,10R)-8-(hydroxymethyl)-10-methoxy-2,5,5-trimethyl-11-oxatricyclo[7.2.1.02,7]dodec-7-en-3-ol
Manual Xref Database
78441187 ChemSpider
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