CHEBI:202550 - Biselyngbyaside B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:202550
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H54O10
Net Charge 0
Average Mass 622.796
Monoisotopic Mass 622.37170
InChI InChI=1S/C34H54O10/c1-8-9-14-23(3)18-26-16-13-11-10-12-15-22(2)17-24(4)28(39-5)20-25(35)19-27(21-29(36)42-26)43-34-31(38)32(40-6)30(37)33(41-7)44-34/h8-13,17-18,22,25-28,30-35,37-38H,14-16,19-21H2,1-7H3/b9-8+,12-10+,13-11+,23-18-,24-17+/t22-,25-,26+,27+,28-,30-,31+,32-,33-,34+/m0/s1
InChIKey VGNZCDQSHWXYFK-LOARBIBKSA-N
SMILES O=C1O[C@@H](/C=C(\C/C=C/C)/C)CC=CC=CC[C@H](C)C=C([C@H](C[C@H](C[C@H](C1)O[C@@H]2O[C@H](OC)[C@@H](O)[C@@H]([C@H]2O)OC)O)OC)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: DOI
ChEBI Ontology
Outgoing Biselyngbyaside B (CHEBI:202550) is a macrolide (CHEBI:25106)
IUPAC Name
(4R,6S,8S,9E,11S,13E,15E,18R)-4-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]oxy-6-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dienyl]-1-oxacyclooctadeca-9,13,15-trien-2-one
Manual Xref Database
78436888 ChemSpider
View more database links