CHEBI:219813 - Cylindrocyclophane A

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ChEBI Name Cylindrocyclophane A
ChEBI ID CHEBI:219813
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H56O6
Net Charge 0
Average Mass 584.838
Monoisotopic Mass 584.40769
InChI InChI=1S/C36H56O6/c1-5-7-15-25-17-11-9-13-23(3)36(42)28-21-31(39)34(32(40)22-28)26(16-8-6-2)18-12-10-14-24(4)35(41)27-19-29(37)33(25)30(38)20-27/h19-26,35-42H,5-18H2,1-4H3/t23-,24-,25-,26-,35+,36+/m1/s1
InChIKey JCKOOZUMKBNWSJ-ZLCROBAWSA-N
SMILES OC1=C2C(O)=CC(=C1)[C@@H](O)[C@@H](CCCC[C@H](C3=C(C=C([C@H]([C@@H](CCCC[C@H]2CCCC)C)O)C=C3O)O)CCCC)C
Metabolite of Species Details
Cylindrospermum licheniforme (NCBI:txid184932) See: DOI
ChEBI Ontology
Outgoing Cylindrocyclophane A (CHEBI:219813) is a phenols (CHEBI:33853)
IUPAC Name
(2S,3R,8R,13S,14R,19R)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol