Coprophilin (CHEBI:199488)

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CHEBI:199488 - Coprophilin

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ChEBI ID	CHEBI:199488
ChEBI Name	Coprophilin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H28O3
Net Charge	0
Average Mass	304.430
Monoisotopic Mass	304.20384
SMILES	COC(=O)/C=C/C=C/[C@@H]1[C@H]2[C@H](C)[C@@H](O)[C@H](C)C[C@@H]2C=C[C@@H]1C
InChI	InChI=1S/C19H28O3/c1-12-9-10-15-11-13(2)19(21)14(3)18(15)16(12)7-5-6-8-17(20)22-4/h5-10,12-16,18-19,21H,11H2,1-4H3/b7-5+,8-6+/t12-,13+,14-,15-,16-,18-,19-/m0/s1
InChIKey	QHLKFSYCJIWJAQ-KPXDCOTISA-N

ChEBI Ontology

Outgoing Relation(s)
	Coprophilin (CHEBI:199488) is a fatty acid ester (CHEBI:35748)

IUPAC Name
methyl (2E,4E)-5-[(1S,2S,4aR,6R,7S,8S,8aS)-7-hydroxy-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate

Manual Xrefs	Databases
5293646	ChemSpider