Youbetaoufene A1 (CHEBI:217051)

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CHEBI:217051 - Youbetaoufene A1

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ChEBI ID	CHEBI:217051
ChEBI Name	Youbetaoufene A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H40O4
Net Charge	0
Average Mass	536.712
Monoisotopic Mass	536.29266
SMILES	C/C=C/C=C\C=C\C=C/c1ccccc1[C@@H](CC(=O)O)[C@@H]1C=C/C(=C\CC(=O)O)[C@@H](/C=C\C=C\C=C/C=C/C)C1
InChI	InChI=1S/C36H40O4/c1-3-5-7-9-11-13-15-19-30-20-17-18-22-33(30)34(28-36(39)40)32-24-23-29(25-26-35(37)38)31(27-32)21-16-14-12-10-8-6-4-2/h3-25,31-32,34H,26-28H2,1-2H3,(H,37,38)(H,39,40)/b5-3+,6-4+,9-7-,10-8-,13-11+,14-12+,19-15-,21-16-,29-25+/t31-,32+,34-/m0/s1
InChIKey	PBGNPVWDTRYFBH-GSOXOQHNSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31891272)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Youbetaoufene A1 (CHEBI:217051) is a benzenes (CHEBI:22712)
	Youbetaoufene A1 (CHEBI:217051) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name
(3S)-3-[(1S,4E,5R)-4-(2-carboxyethylidene)-5-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]cyclohex-2-en-1-yl]-3-[2-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]phenyl]propanoic acid

Manual Xrefs	Databases
81366992	ChemSpider