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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > stemphyloxin ii
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > stemphyloxin ii
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > stemphyloxin ii
carbotricyclic compound > stemphyloxin ii
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > primary alcohol > stemphyloxin ii
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > primary alcohol > stemphyloxin ii
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > primary alcohol > stemphyloxin ii
... > organooxygen compound > carbonyl compound > aldehyde > ketoaldehyde > 3-oxo aldehyde > stemphyloxin ii
... > organooxygen compound > carbonyl compound > ketone > ketoaldehyde > 3-oxo aldehyde > stemphyloxin ii

Preferred term

stemphyloxin ii  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O6

has_functional_parent

has_role

inchi

  • InChI=1S/C21H34O6/c1-6-12(9-22)16-19(4)15-11(2)7-18(3,25)8-13(15)21(27,20(16,5)26)14(10-23)17(19)24/h10-13,15-16,22-23,25-27H,6-9H2,1-5H3/b14-10+/t11-,12+,13+,15+,16-,18-,19-,20+,21+/m1/s1

inchikey

  • JTFGPTHCAAUOQL-RNPLJHCFSA-N

mass

  • 382.497

monoisotopicmass

  • 382.23554

smiles

  • [C@]12(C(/C(/[C@]([C@@]3([C@@]1([C@@](C[C@](C3)(O)C)(C)[H])[H])[H])(O)[C@@]([C@@]2([C@@H](CC)CO)[H])(C)O)=C/O)=O)C

subset

  • 3_STAR

synonym EXACT

  • (1S,2S,4R,6R,7S,8R,10Z,11S,12R)-1,4,11-trihydroxy-12-[(2R)-1-hydroxybutan-2-yl]-10-(hydroxymethylene)-4,6,8,11-tetramethyltricyclo[6.2.2.0(2,7)]dodecan-9-one
  • stemphyloxin II

synonym RELATED

  • (1R,3Z,4S,4aS,6R,8R,8aS,9S,10R)-4,6,9-trihydroxy-10-[(2R)-1-hydroxybutan-2-yl]-3-(hydroxymethylidene)-1,6,8,9-tetramethyloctahydro-1,4-ethanonaphthalen-2(1H)-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145066

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