BC 01_C3 (CHEBI:206503)

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CHEBI:206503 - BC 01_C3

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ChEBI ID	CHEBI:206503
ChEBI Name	BC 01_C3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H40O4
Net Charge	0
Average Mass	392.580
Monoisotopic Mass	392.29266
SMILES	C/C=C(\CCCC)COC(=O)C1CCCCC1C(=O)O/C=C(\CC)CCCC
InChI	InChI=1S/C24H40O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h7,18,21-22H,5-6,8-17H2,1-4H3/b19-7+,20-18+
InChIKey	RUBQNMFXQVMNMM-RSTVAJNISA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (28401462)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	BC 01_C3 (CHEBI:206503) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
2-O-[(E)-2-ethylhex-1-enyl] 1-O-[(2E)-2-ethylidenehexyl] cyclohexane-1,2-dicarboxylate

Manual Xrefs	Databases
62285069	ChemSpider