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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > chloropestolide e
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > chloropestolide 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 > chloropestolide e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > chloropestolide e

Preferred term

chloropestolide e  

Type

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

Broader concept

charge

  • 0

formula

  • C33H35ClO11

inchi

  • InChI=1S/C33H35ClO11/c1-14(2)6-7-32-27(39)18(11-20(37)29(32)44-32)17-8-16(4)12-31(22(38)13-35)24(17)26(42-5)25(34)28(40)33(31)43-21-10-15(3)9-19(36)23(21)30(41)45-33/h6,8-10,20,24,27,29,35-37,39H,7,11-13H2,1-5H3/b18-17-/t20-,24+,27+,29-,31-,32+,33-/m0/s1

inchikey

  • BETJPYMBAGJTRK-MWQFATPCSA-N

mass

  • 643.080

monoisotopicmass

  • 642.18679

smiles

  • ClC=1C(=O)[C@]2(OC(=O)C=3C(O)=CC(=CC3O2)C)[C@]4(C(=O)CO)CC(C)=C/C(/[C@@H]4C1OC)=C/5/[C@@H](O)[C@]6(O[C@H]6[C@H](C5)O)CC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,4'aS,5'Z,8'aR)-3'-chloro-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]-5-hydroxy-8'a-(2-hydroxyacetyl)-4'-methoxy-7,7'-dimethylspiro[1,3-benzodioxine-2,1'-4a,8-dihydronaphthalene]-2',4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213449

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