CHEBI:132792 - lactiflorin

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ChEBI Name lactiflorin
Definition An organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C23H26O10
Net Charge 0
Average Mass 462.447
Monoisotopic Mass 462.15260
InChI InChI=1S/C23H26O10/c1-21-23(33-20-18(32-21)17(27)16(26)14(9-24)30-20)8-12-13(25)7-15(31-21)22(12,23)10-29-19(28)11-5-3-2-4-6-11/h2-6,12,14-18,20,24,26-27H,7-10H2,1H3/t12-,14+,15+,16+,17-,18+,20-,21+,22-,23-/m0/s1
SMILES O1[C@@]2([H])[C@]3([C@]4(O[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@]5(O[C@@]14C)[H])CO)[H])C[C@]3(C(C2)=O)[H])COC(C=6C=CC=CC6)=O
Metabolite of Species Details
Paeonia lactiflora (NCBI:txid35924) Found in root (BTO:0001188). See: PubMed
Paeonia anomala (NCBI:txid40698) See: PubMed
Paeonia sinjiangensis (NCBI:txid69719) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lactiflorin (CHEBI:132792) has role plant metabolite (CHEBI:76924)
lactiflorin (CHEBI:132792) is a benzoate ester (CHEBI:36054)
lactiflorin (CHEBI:132792) is a bridged compound (CHEBI:35990)
lactiflorin (CHEBI:132792) is a cyclic ketal (CHEBI:59779)
lactiflorin (CHEBI:132792) is a cyclic ketone (CHEBI:3992)
lactiflorin (CHEBI:132792) is a organic heteropentacyclic compound (CHEBI:38164)
[(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-oxooctahydro-3aH,5H-3,4,8,9-tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalen-10b(1H)-yl]methyl benzoate
Synonym Source
(+)-lactiflorin ChEBI
Manual Xrefs Databases
14605198 PubChem
C00011060 KNApSAcK
View more database links
Registry Numbers Types Sources
22270746 Reaxys Registry Number Reaxys
88623-95-4 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
15015302 PubMed citation Europe PMC
15506284 PubMed citation Europe PMC
22190295 PubMed citation Europe PMC
22653868 PubMed citation Europe PMC
27796322 PubMed citation Europe PMC
8717280 PubMed citation Europe PMC
Last Modified
18 January 2017