CHEBI:67434 - 3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol
ChEBI ID CHEBI:67434
Definition A natural product found in Eupatorium cannabinum subspecies asiaticum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H20O5
Net Charge 0
Average Mass 340.36980
Monoisotopic Mass 340.13107
InChI InChI=1S/C20H20O5/c1-11-3-5-13-15(9-11)24-18-19(13,22)7-8-20(25-18)14-6-4-12(2)10-16(14)23-17(20)21/h3-6,9-10,17-18,21-22H,7-8H2,1-2H3/t17-,18-,19+,20-/m0/s1
InChIKey YMKQULZUUJUBPP-HAGHYFMRSA-N
SMILES [H][C@@]12Oc3cc(C)ccc3[C@]1(O)CC[C@@]1(O2)[C@@H](O)Oc2cc(C)ccc12
Metabolite of Species Details
Eupatorium cannabinum subsp. asiaticum (NCBI:txid102770) Found in aerial part (BTO:0001658). MeOH extract of shade-dried, pulverized aerial parts, compound obtained as mixture of enantiomers. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol (CHEBI:67434) has role metabolite (CHEBI:25212)
3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol (CHEBI:67434) is a furopyran (CHEBI:74927)
Synonym Source
(2S,3S,4'aR,9'aS)-6,7'-dimethylspiro[2H-1-benzofuran-3,2'-4,9a-dihydro-3H-pyrano[2,3-b][1]benzofuran]-2,4'a-diol ChEBI
Citation Waiting for Citations Type Source
21391659 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzofurans(CHEBI:35259); ISA:toluenes(CHEBI:27024); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:furans(CHEBI:24129); ISA:tertiary alcohol(CHEBI:26878); ISA:hemiacetal(CHEBI:5653); ISA:acetal(CHEBI:59769);