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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] hexanoate
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] hexanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] hexanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] hexanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] hexanoate

Preferred term

[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1h-naphthalen-1-yl] hexanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H36O6

inchi

  • InChI=1S/C21H36O6/c1-5-6-7-8-17(25)27-15-11-14(12-22)21(26,13-23)20(4)16(24)9-10-19(2,3)18(15)20/h11,15-16,18,22-24,26H,5-10,12-13H2,1-4H3

inchikey

  • PBKUOHTZGOWWBK-UHFFFAOYSA-N

mass

  • 384.508

monoisotopicmass

  • 384.251

smiles

  • O=C(OC1C=C(C(O)(CO)C2(C1C(CCC2O)(C)C)C)CO)CCCCC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143755

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