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CHEBI:232406 - haedoxan A

Default Structure
ChEBI IDCHEBI:232406
ChEBI Namehaedoxan A
Stars
Secondary ChEBI IDCHEBI:233271
Last Modified2 February 2026
SubmitterFlyBase
DownloadsMolfile
FormulaC33H34O14
Net Charge0
Average Mass654.621
Monoisotopic Mass654.19486
SMILES[H][C@]1(Oc2c(OC)cc3c(c2OC)OCO3)OC[C@@]2([H])[C@]1(O)CO[C@]2([H])c1cc2c(cc1OC)O[C@]([H])(c1ccc3c(c1)OCO3)[C@@]([H])(COC)O2
InChIInChI=1S/C33H34O14/c1-35-12-26-27(16-5-6-19-21(7-16)42-14-41-19)46-23-9-20(36-2)17(8-22(23)45-26)28-18-11-39-32(33(18,34)13-40-28)47-30-24(37-3)10-25-29(31(30)38-4)44-15-43-25/h5-10,18,26-28,32,34H,11-15H2,1-4H3/t18-,26-,27-,28-,32-,33-/m1/s1
InChIKeySVQIUEXUTJVJTM-KTIWSMOXSA-N
Species of MetaboliteComponentSourceComments
Phryma leptostachya (ncbitaxon:41401) - PubMed (36752392)
Phryma leptostachya L.- PubMed (36175391)
ChEBI Ontology
Outgoing Relation(s)
haedoxan A (CHEBI:232406) has role insecticide (CHEBI:24852)
haedoxan A (CHEBI:232406) is a benzodioxine (CHEBI:64096)
haedoxan A (CHEBI:232406) is a benzodioxoles (CHEBI:38298)
haedoxan A (CHEBI:232406) is a ether (CHEBI:25698)
haedoxan A (CHEBI:232406) is a furofuran (CHEBI:47790)
IUPAC Name 
(1S,3aS,4R,6aR)-1-[(2R,3R)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-[(4,6-dimethoxy-1,3-benzodioxol-5-yl)oxy]dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-ol
Synonyms  Source
haedoxanSUBMITTER
(+)-haedoxan AChEBI
Registry NumbersSources
CAS:123619-26-1SUBMITTER
Citations