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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > xylarenal b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > xylarenal b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > xylarenal b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > xylarenal b

Preferred term

xylarenal b  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38O5

inchi

  • InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-21(27)29-20-14-13-18(3)24(4)15-19(17(2)16-26)22(28)23-25(20,24)30-23/h16,18-20,23H,2,5-15H2,1,3-4H3/t18-,19-,20+,23?,24+,25?/m1/s1

inchikey

  • CAFODEOZJJUIRL-LPQHCYBDSA-N

mass

  • 418.574

monoisotopicmass

  • 418.27192

smiles

  • O=C1[C@@H](C(C=O)=C)C[C@]2([C@@H](CC[C@@H](C32C1O3)OC(=O)CCCCCCCCC)C)C

subset

  • 2_STAR

synonym EXACT

  • [(3R,4aS,5R,8S)-4a,5-dimethyl-2-oxo-3-(3-oxoprop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-1aH-naphtho[8,8a-b]oxiren-8-yl] decanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213122

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