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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > benzopyran > phomopsiketone e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > phomopsiketone e
... > 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 > benzopyran > phomopsiketone e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > phomopsiketone e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > phomopsiketone e
... > 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 > organic heteropolycyclic compound > benzopyran > phomopsiketone e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > phomopsiketone e

Preferred term

phomopsiketone e  

Type

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

Broader concept

charge

  • 0

formula

  • C18H30O5

inchi

  • InChI=1S/C18H30O5/c1-3-5-9-21-10-11-22-18-17-14(12-13(23-18)6-4-2)15(19)7-8-16(17)20/h13,16,18,20H,3-12H2,1-2H3/t13-,16+,18-/m0/s1

inchikey

  • ZZTPZTUPTGWCBZ-XCRHUMRWSA-N

mass

  • 326.433

monoisotopicmass

  • 326.20932

smiles

  • O=C1C2=C([C@H](O[C@H](C2)CCC)OCCOCCCC)[C@H](O)CC1

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,8R)-1-(2-butoxyethoxy)-8-hydroxy-3-propyl-1,3,4,6,7,8-hexahydroisochromen-5-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209569

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