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CHEBI:184321 - 2-{[hydroxy({3,4,8,9,10-pentahydroxy-6-oxo-2-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-6H-benzo[c]chromen-1-yl})methylidene]amino}acetic acid

ChEBI IDCHEBI:184321
ChEBI Name2-{[hydroxy({3,4,8,9,10-pentahydroxy-6-oxo-2-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-6H-benzo[c]chromen-1-yl})methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H23NO19
Net Charge0
Average Mass689.491
Monoisotopic Mass689.08643
SMILESO=C(O)C/N=C(\O)c1c(-c2c(O)c(O)c(O)c3cc(C(O)C(O)C(O)CO)oc(=O)c23)c(O)c(O)c2oc(=O)c3cc(O)c(O)c(O)c3c12
InChIInChI=1S/C29H23NO19/c31-4-8(33)19(38)20(39)9-2-5-12(29(47)48-9)13(22(41)24(43)17(5)36)14-16(27(45)30-3-10(34)35)15-11-6(1-7(32)18(37)21(11)40)28(46)49-26(15)25(44)23(14)42/h1-2,8,19-20,31-33,36-44H,3-4H2,(H,30,45)(H,34,35)
InChIKeyOOWQTALUGSKLJV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
2-{[hydroxy({3,4,8,9,10-pentahydroxy-6-oxo-2-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-6H-benzo[c]chromen-1-yl})methylidene]amino}acetic acid (CHEBI:184321) is a tannin (CHEBI:26848)
IUPAC Name 
2-[[hydroxy-[3,4,8,9,10-pentahydroxy-6-oxo-2-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)isochromen-8-yl]benzo[c]chromen-1-yl]methylidene]amino]acetic acid
Manual XrefsDatabases
HMDB0129902HMDB