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CHEBI:200081 - (1S,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-9-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

ChEBI IDCHEBI:200081
ChEBI Name(1S,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-9-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O9
Net Charge0
Average Mass602.765
Monoisotopic Mass602.34548
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(CO)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@H](C)[C@H]1OC
InChIInChI=1S/C34H50O9/c1-8-9-10-20(5)29(37)43-28-26(36)30(42-21(6)27(28)40-7)41-17-33-15-23-19(4)11-12-24(23)32(16-35)14-22(33)13-25(18(2)3)34(32,33)31(38)39/h8-10,13,18-19,21-24,26-28,30,35-36H,11-12,14-17H2,1-7H3,(H,38,39)/b9-8+,20-10-/t19-,21-,22-,23-,24-,26+,27-,28+,30-,32+,33+,34+/m1/s1
InChIKeyQPMNLDCROSGTCI-OOKLOIGGSA-N
Species of MetaboliteComponentSourceComments
Graphium (ncbitaxon:76204) - PubMed (9918394)
ChEBI Ontology
Outgoing Relation(s)
(1S,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-9-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid (CHEBI:200081) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(1S,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-9-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
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