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CHEBI:176928 - Gomisin D

ChEBI IDCHEBI:176928
ChEBI NameGomisin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O10
Net Charge0
Average Mass530.570
Monoisotopic Mass530.21520
SMILESCOc1cc2c(c(OC)c1OC)-c1c3cc4c(c1OCC(C)C(C)(O)C(=O)OC2C(C)(O)C(C)C3)OCO4
InChIInChI=1S/C28H34O10/c1-13-8-15-9-18-22(37-12-36-18)24-19(15)20-16(10-17(32-5)21(33-6)23(20)34-7)25(27(13,3)30)38-26(29)28(4,31)14(2)11-35-24/h9-10,13-14,25,30-31H,8,11-12H2,1-7H3
InChIKeyVLLFEMVDMFTBHG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
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)
Gomisin D (CHEBI:176928) is a tannin (CHEBI:26848)
IUPAC Name 
12,25-dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one
Manual XrefsDatabases
44210490ChemSpider