CHEBI:198269 - Halstoctacosanolide C

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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 Halstoctacosanolide C
ChEBI ID CHEBI:198269
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H78O10
Net Charge 0
Average Mass 815.142
Monoisotopic Mass 814.55950
InChI InChI=1S/C48H78O10/c1-11-41(50)38(10)45(54)27-39(49)20-17-30(2)26-36(8)46-29-44(53)33(5)16-14-12-13-15-32(4)43(52)28-40-21-19-37(9)48(56,58-40)24-23-31(3)25-35(7)42(51)22-18-34(6)47(55)57-46/h12-14,16-18,23,25,32-33,36-42,44-46,49-51,53-54,56H,11,15,19-22,24,26-29H2,1-10H3/b13-12-,16-14-,30-17+,31-23-,34-18-,35-25-
InChIKey WOCRMBMRJOSSHX-NKUGXYOMSA-N
SMILES O=C1OC(C(C/C(=C/CC(O)CC(O)C(C(O)CC)C)/C)C)CC(O)C(C=CC=CCC(C(=O)CC2OC(CC=C(C=C(C(CC=C1C)O)C)C)(O)C(CC2)C)C)C
Metabolite of Species Details
Streptomyces halstedii (NCBI:txid1944) See: PubMed
ChEBI Ontology
Outgoing Halstoctacosanolide C (CHEBI:198269) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5Z,9Z,17Z,19Z)-1,7,15-trihydroxy-4,6,10,16,22,28-hexamethyl-13-[(E)-7,9,11-trihydroxy-4,10-dimethyltridec-4-en-2-yl]-12,29-dioxabicyclo[23.3.1]nonacosa-3,5,9,17,19-pentaene-11,23-dione
Manual Xref Database
78444752 ChemSpider
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