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Chemistry, part 2

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Concept information

organooxygen compound > ester > carboxylic ester > butyrate ester > hirsutalin a
organooxygen compound > carbonyl compound > carboxylic ester > butyrate ester > hirsutalin a
... > 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 > butyrate ester > hirsutalin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > butyrate ester > hirsutalin a
... > organooxygen compound > ester > carboxylic ester > fatty acid ester > butyrate ester > hirsutalin a
... > organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > hirsutalin a
... > 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 > fatty acid ester > butyrate ester > hirsutalin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > hirsutalin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > butyrate ester > hirsutalin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > hirsutalin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > hirsutalin a

Preferred term

hirsutalin a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O7

has_role

inchi

  • InChI=1S/C28H44O7/c1-7-9-23(31)33-15-18(5)19-11-10-16(3)24-22-14-17(4)21(30)12-13-28(6,26(34-22)25(19)24)35-27(32)20(29)8-2/h10,18-22,24-26,29-30H,4,7-9,11-15H2,1-3,5-6H3/t18-,19+,20+,21-,22+,24+,25+,26+,28+/m0/s1

inchikey

  • LGCBXJHPKWYGGG-ZEOQMOKSSA-N

mass

  • 492.64480

monoisotopicmass

  • 492.30870

smiles

  • [H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)[C@H](O)CC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CC=C(C)[C@]21[H])[C@@H](C)COC(=O)CCC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70340

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