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CHEBI:70672 - Boehmenan

ChEBI IDCHEBI:70672
ChEBI NameBoehmenan
Stars
DefinitionA natural product found particularly in Durio oxleyanus and Helicteres hirsuta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H40O12
Net Charge0
Average Mass712.748
Monoisotopic Mass712.25198
SMILESCOc1cc(/C=C/C(=O)OCCCc2cc(OC)c3c(c2)C(COC(=O)/C=C/c2ccc(O)c(OC)c2)C(c2ccc(O)c(OC)c2)O3)ccc1O
InChIInChI=1S/C40H40O12/c1-46-33-19-24(7-12-30(33)41)9-15-37(44)50-17-5-6-26-18-28-29(23-51-38(45)16-10-25-8-13-31(42)34(20-25)47-2)39(52-40(28)36(21-26)49-4)27-11-14-32(43)35(22-27)48-3/h7-16,18-22,29,39,41-43H,5-6,17,23H2,1-4H3/b15-9+,16-10+
InChIKeyOVFZHMPISOASDF-KAVGSWPWSA-N
Species of MetaboliteComponentSourceComments
Helicteres hirsuta (IPNI:51446-3) - DOI (10.1021/np100332v)
Durio oxleyanus (ncbitaxon:117662) bark (BTO:0001301) DOI (10.1021/np100332v) Chloroform soluble components of methanolic extract of bark
Durio carinatus (ncbitaxon:140961) stem (BTO:0001300) DOI (10.1021/np100332v) Previous component: stem bark; Methanol-soluble extract of macerated, powdered stem bark
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)
Boehmenan (CHEBI:70672) has role metabolite (CHEBI:25212)
Boehmenan (CHEBI:70672) is a benzofurans (CHEBI:35259)