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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > oxanes > neoabybetaomicin e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > oxanes > neoabybetaomicin 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 > oxanes > neoabybetaomicin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > oxanes > neoabybetaomicin e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxanes > neoabybetaomicin 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 heteromonocyclic compound > oxanes > neoabybetaomicin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxanes > neoabybetaomicin e

Preferred term

neoabybetaomicin e  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30O9

inchi

  • InChI=1S/C25H30O9/c1-10-6-7-14(26)16-20-25(34-22(16)31)9-11(2)23(4,32-20)19(29)17(25)13(8-15(10)27)24(5)18(28)12(3)21(30)33-24/h10-11,13,17,19,28-29H,6-9H2,1-5H3/t10-,11-,13+,17-,19-,23-,24-,25-/m0/s1

inchikey

  • AZCMFNIOTHOTOO-LUCYQVCOSA-N

mass

  • 474.506

monoisotopicmass

  • 474.18898

smiles

  • O=C1C=2C(=O)O[C@]34C2O[C@]([C@@H](O)[C@@H]3[C@H]([C@@]5(OC(=O)C(=C5O)C)C)CC([C@H](CC1)C)=O)([C@@H](C)C4)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,3S,4R,7S,14S,16S)-2-hydroxy-4-[(2S)-3-hydroxy-2,4-dimethyl-5-oxouran-2-yl]-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210177

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