Longidiacid B (CHEBI:210250)

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CHEBI:210250 - Longidiacid B

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ChEBI ID	CHEBI:210250
ChEBI Name	Longidiacid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O4
Net Charge	0
Average Mass	336.472
Monoisotopic Mass	336.23006
SMILES	CC(=CCO)CC1=C(CC(=O)O)[C@]2(C)CCC[C@@](C)(CO)[C@H]2CC1
InChI	InChI=1S/C20H32O4/c1-14(7-10-21)11-15-5-6-17-19(2,13-22)8-4-9-20(17,3)16(15)12-18(23)24/h7,17,21-22H,4-6,8-13H2,1-3H3,(H,23,24)/t17-,19+,20+/m1/s1
InChIKey	XUEPRWCQZSMQQY-HOJAQTOUSA-N

Species of Metabolite	Component	Source	Comments
Diaporthe (ncbitaxon:36922)	-	PubMed (32717916)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Longidiacid B (CHEBI:210250) is a carboxylic acid (CHEBI:33575)

IUPAC Name
2-[(4aS,5R,8aR)-5-(hydroxymethyl)-2-(4-hydroxy-2-methylbut-2-enyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]acetic acid