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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > gemmacolide h, (rel)-
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > gemmacolide h, (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 > lactone > gamma-lactone > gemmacolide h, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > gemmacolide h, (rel)-
organooxygen compound > ester > lactone > gamma-lactone > gemmacolide h, (rel)-
organooxygen compound > oxacycle > lactone > gamma-lactone > gemmacolide h, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > gemmacolide h, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > gemmacolide h, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > gemmacolide h, (rel)-

Preferred term

gemmacolide h, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C28H35ClO12

has_role

inchi

  • InChI=1S/C28H35ClO12/c1-12-8-9-18(37-14(3)30)26(7)19(38-15(4)31)10-20(39-16(5)32)27(11-36-27)22(26)24(40-17(6)33)28(35)13(2)25(34)41-23(28)21(12)29/h8-9,13,18-24,35H,1,10-11H2,2-7H3/b9-8+/t13-,18-,19-,20+,21-,22+,23-,24-,26-,27+,28-/m0/s1

inchikey

  • SOPGXGVLWJRPKF-GBGQAHMFSA-N

mass

  • 599.02300

monoisotopicmass

  • 598.18170

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(C)=O)[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:68210

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