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

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

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ChEBI ID	CHEBI:213014
ChEBI Name	Bis-7-O-8.8-O-7-zinniol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H40O6
Net Charge	0
Average Mass	496.644
Monoisotopic Mass	496.28249
SMILES	COc1c(C)c(OCC=C(C)C)cc2c1COCc1cc(OCC=C(C)C)c(C)c(OC)c1COC2
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

Species of Metabolite	Component	Source	Comments
Alternaria tagetica (ncbitaxon:160391)	-	PubMed (10978208)

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
8728712	ChemSpider