CHEBI:218796 - Cylindrocyclophane F

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ChEBI Name Cylindrocyclophane F
ChEBI ID CHEBI:218796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H56O4
Net Charge 0
Average Mass 552.840
Monoisotopic Mass 552.41786
InChI InChI=1S/C36H56O4/c1-5-7-15-29-17-11-9-13-25(3)20-28-23-33(39)36(34(40)24-28)30(16-8-6-2)18-12-10-14-26(4)19-27-21-31(37)35(29)32(38)22-27/h21-26,29-30,37-40H,5-20H2,1-4H3/t25-,26-,29-,30-/m0/s1
InChIKey AAGAYZNADYXWIQ-ATACATFBSA-N
SMILES OC1=C2C(O)=CC(=C1)C[C@H](CCCC[C@@H](C3=C(C=C(C[C@H](CCCC[C@@H]2CCCC)C)C=C3O)O)CCCC)C
Metabolite of Species Details
Cylindrospermum licheniforme (NCBI:txid184932) See: DOI
ChEBI Ontology
Outgoing Cylindrocyclophane F (CHEBI:218796) is a phenols (CHEBI:33853)
IUPAC Name
(3S,8S,14S,19S)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
Manual Xref Database
9932052 ChemSpider
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