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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > xylarenal a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > xylarenal a

Preferred term

xylarenal a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38O4

inchi

  • InChI=1S/C25H38O4/c1-5-6-7-8-9-10-11-12-24(28)29-23-14-13-19(3)25(4)16-20(18(2)17-26)22(27)15-21(23)25/h15,17,19-20,23H,2,5-14,16H2,1,3-4H3/t19-,20-,23+,25+/m1/s1

inchikey

  • STMJKOIBKJGTDP-MLNLTJHKSA-N

mass

  • 402.575

monoisotopicmass

  • 402.27701

smiles

  • O=C1C=C2[C@@]([C@@H](CC[C@@H]2OC(=O)CCCCCCCCC)C)(C)C[C@@H]1C(C=O)=C

subset

  • 2_STAR

synonym EXACT

  • [(1S,4R,4aS,6R)-4,4a-dimethyl-7-oxo-6-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6-hexahydronaphthalen-1-yl] decanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206734

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