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CHEBI:181867 - (E)-4-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(1,2-dihydroxyethyl)but-2-enoic acid

ChEBI IDCHEBI:181867
ChEBI Name(E)-4-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(1,2-dihydroxyethyl)but-2-enoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILES[H][C@]12CCC(=C)[C@@H](C/C=C(/C(=O)O)C(O)CO)[C@]1(C)CCC(O)[C@@]2(C)CO
InChIInChI=1S/C20H32O6/c1-12-4-7-16-19(2,9-8-17(24)20(16,3)11-22)14(12)6-5-13(18(25)26)15(23)10-21/h5,14-17,21-24H,1,4,6-11H2,2-3H3,(H,25,26)/b13-5+/t14-,15?,16+,17?,19+,20+/m1/s1
InChIKeyCBJRVSWMDLZAQD-SSRKZONRSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-4-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(1,2-dihydroxyethyl)but-2-enoic acid (CHEBI:181867) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(E)-4-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(1,2-dihydroxyethyl)but-2-enoic acid
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