CHEBI:7889 - paeoniflorin

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ChEBI Name paeoniflorin
ChEBI ID CHEBI:7889
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28O11
Net Charge 0
Average Mass 480.463
Monoisotopic Mass 480.163
InChI InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
InChIKey YKRGDOXKVOZESV-WRJNSLSBSA-N
SMILES C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing paeoniflorin (CHEBI:7889) is a terpene glycoside (CHEBI:61777)
Incoming 6'-O-acetylpaeoniflorin (CHEBI:132815) has functional parent paeoniflorin (CHEBI:7889)
paeoniflorin sulfonate (CHEBI:132817) has functional parent paeoniflorin (CHEBI:7889)
Synonym Source
Paeoniflorin KEGG COMPOUND
Manual Xrefs Databases
C00003011 KNApSAcK
C09959 KEGG COMPOUND
View more database links
Registry Number Type Source
23180-57-6 CAS Registry Number KEGG COMPOUND
Last Modified
20 January 2017