Anthracobic acid B (CHEBI:220289)

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CHEBI:220289 - Anthracobic acid B

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ChEBI ID	CHEBI:220289
ChEBI Name	Anthracobic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H32O4
Net Charge	0
Average Mass	396.527
Monoisotopic Mass	396.23006
SMILES	C/C=C(\C)[C@@]1(O)C(/C=C/C=C(C)\C=C\C=C\C(=O)O)[C@@H]2CC=C(C)C[C@H]2[C@@H]2O[C@@H]21
InChI	InChI=1S/C25H32O4/c1-5-18(4)25(28)21(11-8-10-16(2)9-6-7-12-22(26)27)19-14-13-17(3)15-20(19)23-24(25)29-23/h5-13,19-21,23-24,28H,14-15H2,1-4H3,(H,26,27)/b9-6+,11-8+,12-7+,16-10-,18-5+/t19-,20-,21?,23+,24+,25-/m1/s1
InChIKey	RFLQWGOTYZWRJB-WSWMBLLHSA-N

Species of Metabolite	Component	Source	Comments
Anthracobiaspecies (ncbitaxon:2709752)	-	PubMed (17193260)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Anthracobic acid B (CHEBI:220289) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,6Z,8E)-9-[(1aS,2S,3aR,7aR,7bS)-2-[(E)-but-2-en-2-yl]-2-hydroxy-6-methyl-3,3a,4,7,7a,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-3-yl]-6-methylnona-2,4,6,8-tetraenoic acid

Manual Xrefs	Databases
78443606	ChemSpider