{6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0?,?.0??,??]tricosa-4,6,8,10,12,14-hexaen-23-yl}oxidanesulfonic acid (CHEBI:169516)

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CHEBI:169516 - {6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0?,?.0??,??]tricosa-4,6,8,10,12,14-hexaen-23-yl}oxidanesulfonic acid

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ChEBI ID	CHEBI:169516
ChEBI Name	{6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0?,?.0??,??]tricosa-4,6,8,10,12,14-hexaen-23-yl}oxidanesulfonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H18O17S
Net Charge	0
Average Mass	562.414
Monoisotopic Mass	562.02647
SMILES	O=C1OCC2OC(O)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3-c3c1cc(O)c(O)c3O)C2OS(=O)(=O)O
InChI	InChI=1S/C20H18O17S/c21-6-1-4-9(13(25)11(6)23)10-5(2-7(22)12(24)14(10)26)19(29)36-17-15(27)20(30)35-8(3-34-18(4)28)16(17)37-38(31,32)33/h1-2,8,15-17,20-27,30H,3H2,(H,31,32,33)
InChIKey	HAPCKMRMLCABEH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

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)
	{6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0?,?.0??,??]tricosa-4,6,8,10,12,14-hexaen-23-yl}oxidanesulfonic acid (CHEBI:169516) is a tannin (CHEBI:26848)

IUPAC Name
(6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl) hydrogen sulate

Manual Xrefs	Databases
HMDB0133407	HMDB