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CHEBI:69200 - Isopropylidene derivative of sappanol

ChEBI IDCHEBI:69200
ChEBI NameIsopropylidene derivative of sappanol
Stars
DefinitionA natural product found in Caesalpinia sappan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILES[H][C@@]12OC(C)(C)O[C@]1(Cc1ccc(O)c(O)c1)COc1cc(O)ccc12
InChIInChI=1S/C19H20O6/c1-18(2)24-17-13-5-4-12(20)8-16(13)23-10-19(17,25-18)9-11-3-6-14(21)15(22)7-11/h3-8,17,20-22H,9-10H2,1-2H3/t17-,19+/m0/s1
InChIKeyRLPKXRROWWXWLU-PKOBYXMFSA-N
Species of MetaboliteComponentSourceComments
Caesalpinia sappan (ncbitaxon:483143) heartwood (PO:0004512) PubMed (21800859) Methanolic extract of dried heart wood of C.sappan(Caesalpinia001)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Isopropylidene derivative of sappanol (CHEBI:69200) has role metabolite (CHEBI:25212)
Isopropylidene derivative of sappanol (CHEBI:69200) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
4-[[(3aR,9bS)-7-hydroxy-2,2-dimethyl-4,9b-dihydro-[1,3]dioxolo[4,5-c]chromen-3a-yl]methyl]benzene-1,2-diolChEBI
Citations