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CHEBI:70665 - (+)-boehmenan X

ChEBI IDCHEBI:70665
ChEBI Name(+)-boehmenan X
Stars
DefinitionA natural product found in Durio carinatus and Durio oxleyanus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H38O11
Net Charge0
Average Mass682.722
Monoisotopic Mass682.24141
SMILESCOc1cc(/C=C/C(=O)OCCCc2cc(OC)c3c(c2)[C@@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H](c2ccc(O)c(OC)c2)O3)ccc1O
InChIInChI=1S/C39H38O11/c1-45-33-20-25(8-14-31(33)41)10-17-36(43)48-18-4-5-26-19-29-30(23-49-37(44)16-9-24-6-12-28(40)13-7-24)38(50-39(29)35(21-26)47-3)27-11-15-32(42)34(22-27)46-2/h6-17,19-22,30,38,40-42H,4-5,18,23H2,1-3H3/b16-9+,17-10+/t30-,38+/m1/s1
InChIKeyKXKFYMOZFCYESW-PSQUMQRJSA-N
Species of MetaboliteComponentSourceComments
Durio carinatus (ncbitaxon:140961) stem (BTO:0001300) DOI (10.1021/np100332v) Previous component: stem bark; Methanol-soluble extract of macerated, powdered stem bark
Durio oxleyanus (ncbitaxon:117662) bark (BTO:0001301) DOI (10.1021/np100332v) Chloroform soluble components of methanolic extract of 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 X (CHEBI:70665) has role metabolite (CHEBI:25212)
(+)-boehmenan X (CHEBI:70665) is a benzofurans (CHEBI:35259)
Synonym  Source
(+)-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoateChEBI