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CHEBI:178153 - Guavin B

ChEBI IDCHEBI:178153
ChEBI NameGuavin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H26O17
Net Charge0
Average Mass694.554
Monoisotopic Mass694.11700
SMILESO=C1OCC2O[C@@H](Oc3cc(O)c(C(=O)c4ccccc4)c(O)c3)[C@H](O)[C@@H](O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
InChIInChI=1S/C33H26O17/c34-15-6-12(7-16(35)22(15)23(38)11-4-2-1-3-5-11)48-33-29(44)28(43)30-19(49-33)10-47-31(45)13-8-17(36)24(39)26(41)20(13)21-14(32(46)50-30)9-18(37)25(40)27(21)42/h1-9,19,28-30,33-37,39-44H,10H2/t19?,28-,29-,30?,33-/m1/s1
InChIKeyRPZNIDVYYGUDPA-JRFUOTGDSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
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)
Guavin B (CHEBI:178153) is a tannin (CHEBI:26848)
IUPAC Name 
(11R,12R,13S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
Manual XrefsDatabases
152995ChemSpider
Registry NumbersSources
CAS:94530-90-2ChemIDplus