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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > 12-deoxyepiisororidin e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > 12-deoxyepiisororidin 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 > 12-deoxyepiisororidin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > 12-deoxyepiisororidin e

Preferred term

12-deoxyepiisororidin e  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O7

inchi

  • InChI=1S/C29H38O7/c1-18-10-12-29-17-34-27(32)15-19(2)11-13-33-22(21(4)30)8-6-7-9-26(31)36-24-16-23(35-25(29)14-18)20(3)28(24,29)5/h6-9,14-15,21-25,30H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7-,19-15+/t21-,22+,23-,24-,25-,28-,29-/m1/s1

inchikey

  • QRZOAFBSHUOELI-XQPBFMIJSA-N

mass

  • 498.616

monoisotopicmass

  • 498.26175

smiles

  • O=C1OC[C@@]23[C@@]4(C(=C)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@H](OCCC(=C1)C)[C@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3R,8R,12E,17S,18E,20Z,24R,25S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethyl-26-methylidene-2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-11,22-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217899

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