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CHEBI:226783 - (1R,2S,4R,5R,8R,9S,11S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-methoxy-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

ChEBI IDCHEBI:226783
ChEBI Name(1R,2S,4R,5R,8R,9S,11S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-methoxy-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O10
Net Charge0
Average Mass616.748
Monoisotopic Mass616.32475
SMILESC/C=C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@H](CO)[C@H]1OC
InChIInChI=1S/C34H48O10/c1-7-8-9-20(5)29(38)44-28-26(37)30(43-25(15-35)27(28)41-6)42-17-33-14-22-19(4)10-11-23(22)32(16-36)13-21(33)12-24(18(2)3)34(32,33)31(39)40/h7-9,12,16,18-19,21-23,25-28,30,35,37H,10-11,13-15,17H2,1-6H3,(H,39,40)/b8-7+,20-9-/t19-,21-,22-,23-,25-,26+,27-,28+,30-,32+,33+,34+/m1/s1
InChIKeyWRXFBZPGTAEXAG-ODVJBCADSA-N
Species of MetaboliteComponentSourceComments
Graphium (ncbitaxon:76204) - PubMed (9918394)
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,4R,5R,8R,9S,11S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-methoxy-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid (CHEBI:226783) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-methoxy-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
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