CHEBI:66185 - taiwanschirin D

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ChEBI Name taiwanschirin D
ChEBI ID CHEBI:66185
Definition An organic heterotetracyclic compound isolated from the stems of Kadsura matsudai.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H34O10
Net Charge 0
Average Mass 530.56360
Monoisotopic Mass 530.21520
InChI InChI=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-
InChIKey CAOGJIYLLPIVFO-BOPFTXTBSA-N
SMILES CCCCCC(=O)OC1C(C)C(C)C\C(=C\C(=O)OC)C2(COc3c4OCOc4cc1c23)C(=O)C(=O)OC
Metabolite of Species Details
Kadsura matsudai (IPNI:554587-1) Found in stem (BTO:0001300). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing taiwanschirin D (CHEBI:66185) has role plant metabolite (CHEBI:76924)
taiwanschirin D (CHEBI:66185) is a α-ketoester (CHEBI:51848)
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)
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 Number Type Source
8811894 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11215493 PubMed citation Europe PMC
Last Modified
04 September 2015