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CHEBI:214432 - Mer-WF3010

ChEBI IDCHEBI:214432
ChEBI NameMer-WF3010
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H60O16
Net Charge0
Average Mass856.959
Monoisotopic Mass856.38814
SMILESC/C=C/C=C/C=C/C(=O)OCC1OC(OC2C(CO)OC3(OCc4cc(O)cc(O)c43)C(O)C2OC(=O)/C=C/C=C/CC(O)/C(C)=C/C=C/CCC(C)CC)C(O)C(O)C1O
InChIInChI=1S/C45H60O16/c1-5-7-8-9-15-20-35(50)56-26-34-38(52)39(53)40(54)44(58-34)60-41-33(24-46)61-45(37-29(25-57-45)22-30(47)23-32(37)49)43(55)42(41)59-36(51)21-16-11-14-19-31(48)28(4)18-13-10-12-17-27(3)6-2/h5,7-11,13-16,18,20-23,27,31,33-34,38-44,46-49,52-55H,6,12,17,19,24-26H2,1-4H3/b7-5+,9-8+,13-10+,14-11+,20-15+,21-16+,28-18+
InChIKeyITBLPDDJTHGYAL-QBRWPTABSA-N
Species of MetaboliteComponentSourceComments
Phialophora (ncbitaxon:5600) - PubMed (8468238)
ChEBI Ontology
Outgoing Relation(s)
Mer-WF3010 (CHEBI:214432) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-[[(2E,4E,6E)-octa-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzouran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
Manual XrefsDatabases
4948319ChemSpider