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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > lactone > austrobailignan 1
organooxygen compound > carbonyl compound > carboxylic ester > lactone > austrobailignan 1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > austrobailignan 1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > austrobailignan 1
organooxygen compound > ester > lactone > austrobailignan 1
organooxygen compound > oxacycle > lactone > austrobailignan 1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > austrobailignan 1
... > 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 > lactone > austrobailignan 1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > austrobailignan 1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > austrobailignan 1
... > 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 aromatic compound > phenylpropanoid > lignan > austrobailignan 1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > austrobailignan 1

Preferred term

austrobailignan 1  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18O7

inchi

  • InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1

inchikey

  • GROYKMASYUMFER-RQUSPXKASA-N

mass

  • 382.364

monoisotopicmass

  • 382.10525

smiles

  • COc1cc(cc2OCOc12)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12

subset

  • 2_STAR

synonym EXACT

  • Austrobailignan 1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2932

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