fruticoside F (CHEBI:67589)

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CHEBI:67589 - fruticoside F

ChEBI ID	CHEBI:67589
ChEBI Name	fruticoside F
Stars
Definition	A steroid saponin that is ergosta-7,24(28)-diene-21-thioic S-acid attached to an acetyloxy group at position 2, an α-L-quinovopyranosyloxy group at position 3 and a methyl group at position 4 (the 2α,3β,4α,5α stereoisomer). It has been isolated from the roots of Breynia fruticosa.
Last Modified	9 January 2014
Downloads	Molfile

Formula	C37H58O8S
Net Charge	0
Average Mass	662.930
Monoisotopic Mass	662.38524
SMILES	[H][C@@]1(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)[C@]2([H])CC=C3[C@]4([H])CC[C@]([H])([C@@H](CCC(=C)C(C)C)C(=O)S)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C[C@H]1OC(C)=O
InChI	InChI=1S/C37H58O8S/c1-18(2)19(3)9-10-24(34(42)46)27-14-13-26-23-11-12-25-20(4)33(45-35-32(41)31(40)30(39)21(5)43-35)29(44-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,46)/t20-,21-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36-,37-/m0/s1
InChIKey	ULGWPYHCJGMHRG-HAXSJUCQSA-N

Species of Metabolite	Component	Source	Comments
Breynia fruticosa (ncbitaxon:296042)	root (BTO:0001188)	PubMed (21428418)	90% Methanolic extract of air-dried, crushed roots.

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	fruticoside F (CHEBI:67589) has role plant metabolite (CHEBI:76924)
	fruticoside F (CHEBI:67589) is a acetate ester (CHEBI:47622)
	fruticoside F (CHEBI:67589) is a deoxyglucose derivative (CHEBI:63344)
	fruticoside F (CHEBI:67589) is a monosaccharide derivative (CHEBI:63367)
	fruticoside F (CHEBI:67589) is a monothiocarboxylic acid (CHEBI:35737)
	fruticoside F (CHEBI:67589) is a steroid acid (CHEBI:47891)
	fruticoside F (CHEBI:67589) is a steroid ester (CHEBI:47880)
	fruticoside F (CHEBI:67589) is a steroid saponin (CHEBI:61655)

IUPAC Name
(2α,3β,4α,5α)-2-(acetyloxy)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methylergosta-7,24(28)-diene-21-thioic S-acid

Synonym	Source
4α-methyl-2α-acetoxy-5α-ergost-7,24(28)-diene-21-carbothioic acid-3β-O-α-L-quinovopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:21553376	Reaxys

Citations