CHEBI:223262 - Caylobolide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Caylobolide A
ChEBI ID CHEBI:223262
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H82O11
Net Charge 0
Average Mass 763.107
Monoisotopic Mass 762.58571
InChI InChI=1S/C42H82O11/c1-4-5-12-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-20-35(46)18-8-16-33(44)14-6-13-32(43)15-7-17-34(45)19-9-21-36(47)25-30(2)26-42(52)53-41/h30-41,43-51H,4-29H2,1-3H3/t30?,31?,32?,33?,34?,35?,36?,37-,38-,39-,40-,41?/m0/s1
InChIKey ROFXLRMRNXXAJM-WGZXOTHDSA-N
SMILES O=C1OC(C(CCCC)C)C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCCC(O)CCCC(CCCC(CCCC(CCCC(CC(C1)C)O)O)O)O
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: DOI
ChEBI Ontology
Outgoing Caylobolide A (CHEBI:223262) is a macrolide (CHEBI:25106)
IUPAC Name
(26S,28S,30S,34S)-36-hexan-2-yl-6,10,14,18,22,26,28,30,34-nonahydroxy-4-methyl-oxacyclohexatriacontan-2-one
Manual Xref Database
9269049 ChemSpider
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