CHEBI:227670 - Biselyngbyaside E

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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 Biselyngbyaside E
ChEBI ID CHEBI:227670
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H52O9
Net Charge 0
Average Mass 592.770
Monoisotopic Mass 592.36113
InChI InChI=1S/C33H52O9/c1-6-7-13-23(3)19-25-15-11-9-8-10-14-22(2)18-24(4)27(39-5)17-12-16-26(20-29(35)40-25)41-33-32(38)31(37)30(36)28(21-34)42-33/h6-11,18-19,22,25-28,30-34,36-38H,12-17,20-21H2,1-5H3/b7-6+,10-8+,11-9+,23-19-,24-18+/t22-,25+,26+,27-,28+,30+,31-,32+,33+/m0/s1
InChIKey FVQSXDZUODATAD-SCZKAFFFSA-N
SMILES O=C1O[C@@H](/C=C(\C/C=C/C)/C)CC=CC=CC[C@H](C)C=C([C@H](CCC[C@H](C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)OC)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: DOI
ChEBI Ontology
Outgoing Biselyngbyaside E (CHEBI:227670) is a macrolide (CHEBI:25106)
IUPAC Name
(4R,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dienyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctadeca-9,13,15-trien-2-one
Manual Xref Database
40256873 ChemSpider
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