Sterepinic acid B (CHEBI:216381)

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CHEBI:216381 - Sterepinic acid B

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ChEBI ID	CHEBI:216381
ChEBI Name	Sterepinic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H38O7
Net Charge	0
Average Mass	438.561
Monoisotopic Mass	438.26175
SMILES	CC(C)=CC[C@@H](C=C(CCO)COC(=O)[C@H](C=C(CO)CCO)CC=C(C)C)C(=O)O
InChI	InChI=1S/C24H38O7/c1-17(2)5-7-21(23(28)29)14-20(10-12-26)16-31-24(30)22(8-6-18(3)4)13-19(15-27)9-11-25/h5-6,13-14,21-22,25-27H,7-12,15-16H2,1-4H3,(H,28,29)/t21-,22-/m0/s1
InChIKey	XMHHAYPLVIDZIX-VXKWHMMOSA-N

Species of Metabolite	Component	Source	Comments
Stereum (ncbitaxon:5644)	-	PubMed (29865212)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sterepinic acid B (CHEBI:216381) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2S)-6-hydroxy-4-[[(2S)-6-hydroxy-4-(hydroxymethyl)-2-(3-methylbut-2-enyl)hex-3-enoyl]oxymethyl]-2-(3-methylbut-2-enyl)hex-3-enoic acid