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CHEBI:181144 - (Z)-5-[(1S,2R,4Ar,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid

ChEBI IDCHEBI:181144
ChEBI Name(Z)-5-[(1S,2R,4Ar,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILES[H][C@]12CCC=C(CO)[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(=C/C(=O)O)CO
InChIInChI=1S/C20H32O4/c1-14-7-9-20(3)16(13-22)5-4-6-17(20)19(14,2)10-8-15(12-21)11-18(23)24/h5,11,14,17,21-22H,4,6-10,12-13H2,1-3H3,(H,23,24)/b15-11-/t14-,17-,19+,20+/m1/s1
InChIKeyLRLROPFPFABQRF-CBYQQGIISA-N
ChEBI Ontology
Outgoing Relation(s)
(Z)-5-[(1S,2R,4Ar,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid (CHEBI:181144) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid
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