CHEBI:227416 - Varioxiranol D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Varioxiranol D
ChEBI ID CHEBI:227416
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H21ClO5
Net Charge 0
Average Mass 316.780
Monoisotopic Mass 316.10775
InChI InChI=1S/C15H21ClO5/c1-9(16)14(19)15(20)12(18)7-6-10-4-3-5-13(21-2)11(10)8-17/h3-7,9,12,14-15,17-20H,8H2,1-2H3/b7-6+/t9-,12+,14-,15+/m0/s1
InChIKey BLOBGGKUYRGHEO-DHAMEPLPSA-N
SMILES Cl[C@H]([C@H](O)[C@H](O)[C@H](O)/C=C/C1=C(C(OC)=CC=C1)CO)C
Metabolite of Species Details
Aspergillus stellatus (NCBI:txid1549217) See: PubMed
ChEBI Ontology
Outgoing Varioxiranol D (CHEBI:227416) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(E,3R,4R,5R,6S)-6-chloro-1-[2-(hydroxymethyl)-3-methoxyphenyl]hept-1-ene-3,4,5-triol
Manual Xref Database
40256634 ChemSpider
View more database links