fruticoside C (CHEBI:67586)

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CHEBI:67586 - fruticoside C

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ChEBI ID	CHEBI:67586
ChEBI Name	fruticoside C
Stars
Definition	A steroid saponin that is ergosta-7,24(28)-diene substituted by a hydroxy group at position 2, a methyl group at position 4, a carboxy group at position 21 and a α-L-quinovopyranosyloxy group at position 3 (the 2α,3β,4α,5α stereoisomer). It has been isolated from the roots of Breynia fruticosa.
Last Modified	9 January 2014
Downloads	Molfile

Formula	C35H56O8
Net Charge	0
Average Mass	604.825
Monoisotopic Mass	604.39752
SMILES	[H][C@]1(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@]4([H])[C@@H](CCC(=C)C(C)C)C(=O)O)C3=CC[C@@]2([H])[C@@H]1C
InChI	InChI=1S/C35H56O8/c1-17(2)18(3)8-9-22(32(40)41)25-13-12-24-21-10-11-23-19(4)31(43-33-30(39)29(38)28(37)20(5)42-33)27(36)16-35(23,7)26(21)14-15-34(24,25)6/h10,17,19-20,22-31,33,36-39H,3,8-9,11-16H2,1-2,4-7H3,(H,40,41)/t19-,20-,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,33-,34-,35-/m0/s1
InChIKey	BFCFMIFGAHEHCB-YOIAMOGFSA-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

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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 C (CHEBI:67586) has role plant metabolite (CHEBI:76924)
	fruticoside C (CHEBI:67586) is a deoxyglucose derivative (CHEBI:63344)
	fruticoside C (CHEBI:67586) is a monocarboxylic acid (CHEBI:25384)
	fruticoside C (CHEBI:67586) is a monosaccharide derivative (CHEBI:63367)
	fruticoside C (CHEBI:67586) is a steroid acid (CHEBI:47891)
	fruticoside C (CHEBI:67586) is a steroid saponin (CHEBI:61655)

IUPAC Name
(2α,3β,4α,5α)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxy-4-methylergosta-7,24(28)-dien-21-oic acid

Synonym	Source
4α-methyl-2α-hydroxy-5α-ergost-7,24(28)-dien-21-oic acid-3β-O-α-L-quinovopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:21553373	Reaxys

Citations