Concentricol (CHEBI:202192)

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CHEBI:202192 - Concentricol

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ChEBI ID	CHEBI:202192
ChEBI Name	Concentricol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H54O6
Net Charge	0
Average Mass	510.756
Monoisotopic Mass	510.39204
SMILES	C/C(=C\CCC(C)(O)C(O)CC/C(C)=C/CC/C=C(\C)CCC(O)C(C)(O)CC/C=C(\C)CO)CO
InChI	InChI=1S/C30H54O6/c1-23(15-17-27(33)29(5,35)19-9-13-25(3)21-31)11-7-8-12-24(2)16-18-28(34)30(6,36)20-10-14-26(4)22-32/h11-14,27-28,31-36H,7-10,15-22H2,1-6H3/b23-11+,24-12+,25-13+,26-14+
InChIKey	VZNMYFXGBPEORA-VUHAMLAFSA-N

Species of Metabolite	Component	Source	Comments
Daldinia concentrica (ncbitaxon:42361)	-	DOI (10.1016/s0031-9422(01)00032-2)

ChEBI Ontology

Outgoing Relation(s)
	Concentricol (CHEBI:202192) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2E,10E,14E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol

Manual Xrefs	Databases
20057377	ChemSpider