CHEBI:213014 - Bis-7-O-8.8-O-7-zinniol

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 Bis-7-O-8.8-O-7-zinniol
ChEBI ID CHEBI:213014
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O6
Net Charge 0
Average Mass 496.644
Monoisotopic Mass 496.28249
InChI InChI=1S/C30H40O6/c1-19(2)9-11-35-27-13-23-15-33-18-26-24(16-34-17-25(23)29(31-7)21(27)5)14-28(22(6)30(26)32-8)36-12-10-20(3)4/h9-10,13-14H,11-12,15-18H2,1-8H3
InChIKey NDXNIQMAPFLWAT-UHFFFAOYSA-N
SMILES O1CC2=C(OC)C(=C(OCC=C(C)C)C=C2COCC3=C(C1)C=C(OCC=C(C)C)C(=C3OC)C)C
Metabolite of Species Details
Alternaria tagetica (NCBI:txid160391) See: PubMed
ChEBI Ontology
Outgoing Bis-7-O-8.8-O-7-zinniol (CHEBI:213014) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
6,15-dimethoxy-7,16-dimethyl-8,17-bis(3-methylbut-2-enoxy)-3,12-dioxatricyclo[12.4.0.05,10]octadeca-1(18),5,7,9,14,16-hexaene
Manual Xref Database
8728712 ChemSpider
View more database links