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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > gemmacolide i, (rel)-
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > gemmacolide i, (rel)-
... > 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 > gemmacolide i, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > gemmacolide i, (rel)-
... > 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 > gemmacolide i, (rel)-

Preferred term

gemmacolide i, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C31H41ClO12

has_role

inchi

  • InChI=1S/C31H41ClO12/c1-14(2)11-23(36)43-22-12-21(41-18(6)34)29(8)20(40-17(5)33)10-9-15(3)24(32)26-31(38,16(4)28(37)44-26)27(42-19(7)35)25(29)30(22)13-39-30/h9-10,14,16,20-22,24-27,38H,3,11-13H2,1-2,4-8H3/b10-9+/t16-,20-,21-,22+,24-,25+,26-,27-,29-,30+,31-/m0/s1

inchikey

  • WFEBCPFMBDVKOY-FJMVWVHASA-N

mass

  • 641.10300

monoisotopicmass

  • 640.22865

smiles

  • [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@](C)([C@H](C[C@@H](OC(=O)CC(C)C)[C@]11CO1)OC(C)=O)[C@@H](OC(C)=O)/C=C/C(=C)[C@@H]2Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68211

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