Terminology Service for NFDI4Health
JSON

paeoniflorigenone

Go to external page http://purl.obolibrary.org/obo/CHEBI_132788

A terpenoid with formula C17H18O6, isolated from several species of Paeoniae.

Term info

Label

paeoniflorigenone

Synonyms
  • [(2S,3aR,5R,7aS,8S)-3a-hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
[(2S,3aR,5R,7aS,8S)-3a-hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate [ IUPAC ]

charge

0

formula

C17H18O6

has alternative id

CHEBI:69582

has obo namespace

chebi_ontology

has related synonym

(+)-Paeoniflorigenone

id

CHEBI:132788

inchi

InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1

inchikey

BANPEMKDTXIFRE-LQPBRMSDSA-N

mass

318.322

monoisotopicmass

318.11034

smiles

C1([C@@]2(C[C@@]3([C@](C1)(O[C@@](O3)([C@@H]2COC(C=4C=CC=CC4)=O)[H])C)O)[H])=O