CHEBI:67417 - cryptocaryol B

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ChEBI Name cryptocaryol B
ChEBI ID CHEBI:67417
Definition A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from Cryptocarya species.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H58O8
Net Charge 0
Average Mass 570.79810
Monoisotopic Mass 570.41317
InChI InChI=1S/C32H58O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-30(39-25(2)33)23-28(36)21-26(34)20-27(35)22-29(37)24-31-18-16-19-32(38)40-31/h16,19,26-31,34-37H,3-15,17-18,20-24H2,1-2H3/t26-,27+,28-,29+,30-,31+/m0/s1
InChIKey JUDSGWKIMNPKNH-XSFYONRBSA-N
SMILES CCCCCCCCCCCCCCC[C@@H](C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1CC=CC(=O)O1)OC(C)=O
Metabolite of Species Details
Cryptocarya (NCBI:txid22027) CH2Cl2-MeOH(1:1) and 100% MeOH extract of dried and ground plant material 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cryptocaryol B (CHEBI:67417) has role plant metabolite (CHEBI:76924)
cryptocaryol B (CHEBI:67417) is a 2-pyranones (CHEBI:75885)
cryptocaryol B (CHEBI:67417) is a acetate ester (CHEBI:47622)
cryptocaryol B (CHEBI:67417) is a tetrol (CHEBI:33573)
IUPAC Name
(2R,4R,6S,8S,10S)-2,4,6,8-tetrahydroxy-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]pentacosan-10-yl acetate
Registry Number Type Source
23730162 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21539301 PubMed citation Europe PMC
23750754 PubMed citation Europe PMC
Last Modified
09 January 2014