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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > ester > carboxylic ester > fatty acid ester > hexanoate ester > brialalepolide b
... > organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > hexanoate ester > brialalepolide 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 > carboxylic ester > fatty acid ester > hexanoate ester > brialalepolide b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > hexanoate ester > brialalepolide b
... > 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 > hexanoate ester > brialalepolide b

Preferred term

brialalepolide b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O11

has_role

inchi

  • InChI=1S/C30H42O11/c1-8-9-10-11-23(34)39-19-15-20(33)27(5)13-12-21(37-17(3)31)28(6,36)24(27)25(38-18(4)32)30-22(14-16(19)2)40-26(35)29(30,7)41-30/h12-14,19-22,24-25,33,36H,8-11,15H2,1-7H3/b16-14-/t19-,20+,21-,22+,24-,25+,27-,28-,29+,30+/m1/s1

inchikey

  • FRHNNILIALBLSU-XIVSLCBISA-N

mass

  • 578.64790

monoisotopicmass

  • 578.27271

smiles

  • [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(=O)CCCCC)/C(C)=C/2

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67277

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