Conoideoglucoside C (CHEBI:226737)

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CHEBI:226737 - Conoideoglucoside C

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ChEBI ID	CHEBI:226737
ChEBI Name	Conoideoglucoside C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28O9
Net Charge	0
Average Mass	412.435
Monoisotopic Mass	412.17333
SMILES	COc1cc(C(=O)O)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O
InChI	InChI=1S/C20H28O9/c1-10(2)5-6-11-7-12(19(24)25)8-13(26-3)17(11)29-20-16(23)15(22)18(27-4)14(9-21)28-20/h5,7-8,14-16,18,20-23H,6,9H2,1-4H3,(H,24,25)/t14-,15-,16-,18-,20+/m1/s1
InChIKey	CNVGIUXDEAHMTH-RDLFHWDQSA-N

Species of Metabolite	Component	Source	Comments
Conoideocrella (ncbitaxon:1105318)	-	DOI (10.1016/j.tet.2019.05.007)

Roles Classification

astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.

ChEBI Ontology

Outgoing Relation(s)
	Conoideoglucoside C (CHEBI:226737) is a tannin (CHEBI:26848)

IUPAC Name
4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid