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CHEBI:183865 - 2-[(2r,4as,8s,8as)-8-[2-[(4as,7r,8ar)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid

ChEBI IDCHEBI:183865
ChEBI Name2-[(2r,4as,8s,8as)-8-[2-[(4as,7r,8ar)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O7
Net Charge0
Average Mass510.627
Monoisotopic Mass510.26175
SMILES[H][C@@]12C[C@H](C(=C)C(=O)O)CC[C@@]1(C)C=CC(=O)[C@H]2CCC1(O)C(=O)C=C[C@]2(C)CC[C@@H](C(=C)C(=O)O)C[C@@]12[H]
InChIInChI=1S/C30H38O7/c1-17(26(33)34)19-5-10-28(3)12-8-23(31)21(22(28)15-19)7-14-30(37)24-16-20(18(2)27(35)36)6-11-29(24,4)13-9-25(30)32/h8-9,12-13,19-22,24,37H,1-2,5-7,10-11,14-16H2,3-4H3,(H,33,34)(H,35,36)/t19-,20-,21+,22+,24-,28+,29+,30?/m1/s1
InChIKeyBSSWIRVAMSGQMG-RTTXQYISSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
2-[(2r,4as,8s,8as)-8-[2-[(4as,7r,8ar)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid (CHEBI:183865) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
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