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Chemistry, part 1

Content language

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Concept information

organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > mollicellin j
organochlorine compound > mollicellin j
organooxygen compound > carbonyl compound > aldehyde > mollicellin j
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > polyphenol > mollicellin j
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > mollicellin j
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > mollicellin j
organic aromatic compound > phenols > polyphenol > mollicellin j

Preferred term

mollicellin j  

Type

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

Broader concept

charge

  • 0

formula

  • C21H19ClO6

has_role

inchi

  • InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3

inchikey

  • NKSQSZYYPUIJDD-UHFFFAOYSA-N

mass

  • 402.82500

monoisotopicmass

  • 402.08702

smiles

  • CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C

subset

  • 3_STAR

synonym EXACT

  • 2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68723

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