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CHEBI:66185 - taiwanschirin D

ChEBI IDCHEBI:66185
ChEBI Nametaiwanschirin D
Stars
DefinitionAn organic heterotetracyclic compound isolated from the stems of Kadsura matsudai.
Last Modified4 September 2015
DownloadsMolfile
FormulaC28H34O10
Net Charge0
Average Mass530.570
Monoisotopic Mass530.21520
SMILESCCCCCC(=O)OC1c2cc3c(c4c2C(C(=O)C(=O)OC)(CO4)/C(=C\C(=O)OC)CC(C)C1C)OCO3
InChIInChI=1S/C28H34O10/c1-6-7-8-9-20(29)38-23-16(3)15(2)10-17(11-21(30)33-4)28(26(31)27(32)34-5)13-35-25-22(28)18(23)12-19-24(25)37-14-36-19/h11-12,15-16,23H,6-10,13-14H2,1-5H3/b17-11-
InChIKeyCAOGJIYLLPIVFO-BOPFTXTBSA-N
Species of MetaboliteComponentSourceComments
Kadsura matsudai (IPNI:554587-1) stem (BTO:0001300) PubMed (11215493)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
taiwanschirin D (CHEBI:66185) has role plant metabolite (CHEBI:76924)
taiwanschirin D (CHEBI:66185) is a cyclic ether (CHEBI:37407)
taiwanschirin D (CHEBI:66185) is a enoate ester (CHEBI:51702)
taiwanschirin D (CHEBI:66185) is a hexanoate ester (CHEBI:87656)
taiwanschirin D (CHEBI:66185) is a methyl ester (CHEBI:25248)
taiwanschirin D (CHEBI:66185) is a organic heterotetracyclic compound (CHEBI:38163)
taiwanschirin D (CHEBI:66185) is a α-ketoester (CHEBI:51848)
IUPAC Name 
(3Z)-2a-[methoxy(oxo)acetyl]-3-(2-methoxy-2-oxoethylidene)-5,6-dimethyl-2a,3,4,5,6,7-hexahydro-2H-1,9,11-trioxacycloocta[cd]-as-indacen-7-yl hexanoate
Registry NumbersSources
Reaxys:8811894Reaxys
Citations