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CHEBI:8178 - Phyllanthostatin A

ChEBI IDCHEBI:8178
ChEBI NamePhyllanthostatin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H30O13
Net Charge0
Average Mass586.546
Monoisotopic Mass586.16864
SMILESCOc1cc2cc(COC(C)=O)c(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc4c(c3)OCO4)c2cc1OC
InChIInChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26+,27-,29+/m1/s1
InChIKeyKQSAUOPDQAYSSQ-GPXXLQEOSA-N
ChEBI Ontology
Outgoing Relation(s)
Phyllanthostatin A (CHEBI:8178) is a glycoside (CHEBI:24400)
Phyllanthostatin A (CHEBI:8178) is a lignan (CHEBI:25036)
Synonym  Source
Phyllanthostatin AKEGG COMPOUND
Manual XrefsDatabases
C10870KEGG COMPOUND
C00002618KNApSAcK
Registry NumbersSources
CAS:119767-19-0KEGG COMPOUND