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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > dioxanes > isoadenolin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > dioxanes > isoadenolin b
... > 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 > dioxanes > isoadenolin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > dioxanes > isoadenolin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > dioxanes > isoadenolin b
... > 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 > dioxanes > isoadenolin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > dioxanes > isoadenolin b

Preferred term

isoadenolin b  

Type

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

Broader concept

charge

  • 0

formula

  • C22H28O7

has_role

inchi

  • InChI=1S/C22H28O7/c1-9-11-5-6-12-20-13(27-10(2)23)7-8-19(3,4)14(20)16(25)22(26)21(12,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,16+,17+,18?,20+,21+,22+/m1/s1

inchikey

  • OWZOEAKQPTYTKK-FJSXHZHZSA-N

mass

  • 404.45350

monoisotopicmass

  • 404.18350

smiles

  • [H][C@]12CC[C@@]3([H])[C@]45[C@H](CCC(C)(C)[C@@]4([H])[C@H](O)[C@]4(O)OC5O[C@@H]1[C@@]34C(=O)C2=C)OC(C)=O

subset

  • 2_STAR

synonym RELATED

  • 1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-16-en-15-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67653

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