F2928-1 (CHEBI:208097)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208097 - F2928-1

Take structure to advanced search

ChEBI ID	CHEBI:208097
ChEBI Name	F2928-1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H36O7
Net Charge	0
Average Mass	472.578
Monoisotopic Mass	472.24610
SMILES	CCC(C)[C@@H]1O[C@@]1(C)[C@@]1(O)[C@@H](/C=C/C=C/C=C/C(=O)O)[C@@H]2CC=C(C(=O)OC)C[C@H]2[C@@H]2O[C@@]21C
InChI	InChI=1S/C27H36O7/c1-6-16(2)22-25(3,33-22)27(31)20(11-9-7-8-10-12-21(28)29)18-14-13-17(24(30)32-5)15-19(18)23-26(27,4)34-23/h7-13,16,18-20,22-23,31H,6,14-15H2,1-5H3,(H,28,29)/b8-7+,11-9+,12-10+/t16?,18-,19-,20+,22+,23+,25-,26+,27+/m1/s1
InChIKey	HYLJASUMHZDPSK-RDRRWRADSA-N

Species of Metabolite	Component	Source	Comments
Cladobotryumspecies (ncbitaxon:2040732)	-	PubMed (16266122)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	F2928-1 (CHEBI:208097) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,6E)-7-[(1aS,2S,3S,3aR,7aR,7bS)-2-[(2R,3S)-3-butan-2-yl-2-methyloxiran-2-yl]-2-hydroxy-6-methoxycarbonyl-1a-methyl-3,3a,4,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-3-yl]hepta-2,4,6-trienoic acid

Manual Xrefs	Databases
28283007	ChemSpider