CHEBI:223879 - LL-Z1272alpha epoxide

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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 LL-Z1272alpha epoxide
ChEBI ID CHEBI:223879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31ClO4
Net Charge 0
Average Mass 406.950
Monoisotopic Mass 406.19109
InChI InChI=1S/C23H31ClO4/c1-14(7-6-8-15(2)10-12-19-23(4,5)28-19)9-11-17-21(26)18(13-25)16(3)20(24)22(17)27/h8-9,13,19,26-27H,6-7,10-12H2,1-5H3/b14-9+,15-8+/t19-/m0/s1
InChIKey LMVCGMIGVKSDEQ-LHDPSMIPSA-N
SMILES ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/CC/C=C(/CC[C@@H]2OC2(C)C)\C)\C
Metabolite of Species Details
Ascochyta (NCBI:txid5453) See: PubMed
ChEBI Ontology
Outgoing LL-Z1272alpha epoxide (CHEBI:223879) is a monoterpenoid (CHEBI:25409)
IUPAC Name
5-chloro-3-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
Manual Xref Database
28286912 ChemSpider
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