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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > arenicolin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > arenicolin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > arenicolin b
... > 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 > arenicolin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > arenicolin b

Preferred term

arenicolin b  

Type

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

Broader concept

charge

  • 0

formula

  • C34H48O12

inchi

  • InChI=1S/C34H48O12/c1-3-5-7-9-11-13-19-15-21(17-23(37)25(19)33(42)43)45-34(44)26-20(14-12-10-8-6-4-2)16-22(36)27(29(26)39)32-31(41)30(40)28(38)24(18-35)46-32/h15-17,24,28,30-32,35-41H,3-14,18H2,1-2H3,(H,42,43)/t24-,28-,30+,31-,32+/m1/s1

inchikey

  • BTOYUMUJLZUAPC-JRJKXFMVSA-N

mass

  • 648.746

monoisotopicmass

  • 648.31458

smiles

  • O=C(OC1=CC(O)=C(C(=O)O)C(=C1)CCCCCCC)C2=C(O)C(=C(O)C=C2CCCCCCC)[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO

subset

  • 2_STAR

synonym EXACT

  • 2-heptyl-4-[6-heptyl-2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoyl]oxy-6-hydroxybenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225770

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