CHEBI:227058 - Cylindrofridin C

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ChEBI Name Cylindrofridin C
ChEBI ID CHEBI:227058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000064512333
Download Molfile XML SDF
Formula C40H61ClO8
Net Charge 0
Average Mass 705.370
Monoisotopic Mass 704.40550
InChI InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
InChIKey GTRRNAAYKNENPF-ZQUJOIDOSA-N
SMILES ClC(CCCC[C@@H]([C@@H](OC(=O)C)C1=CC(O)=C([C@H](CCCC[C@@H]([C@@H](OC(=O)C)C2=CC(O)=CC(=C2)O)C)CCCC)C(=C1)O)C)CCCC
Metabolite of Species Details
Cylindrospermum stagnale PCC 7417 (NCBI:txid56107) 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.
(via diarylheptanoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cylindrofridin C (CHEBI:227058) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
[(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
Manual Xref Database
58915007 ChemSpider
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