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CHEBI:91699 - (6aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-9-carboxylic acid

ChEBI IDCHEBI:91699
ChEBI Name(6aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-9-carboxylic acid
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FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=CC21
InChIInChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15?,16-/m1/s1
InChIKeyYOVRGSHRZRJTLZ-OEMAIJDKSA-N
ChEBI Ontology
Outgoing Relation(s)
(6aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-9-carboxylic acid (CHEBI:91699) is a 1-benzopyran (CHEBI:38443)
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