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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > cassiaoccidentalin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthoxanthin > flavones > cassiaoccidentalin a

Preferred term

cassiaoccidentalin a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H28O13

inchi

  • InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22,24-28,30-34,36H,1-2H3/t9?,10?,19-,20+,22-,24?,25-,26-,27-/m0/s1

inchikey

  • KCQFNIYRJNSNLG-DVHOVLSXSA-N

mass

  • 560.504

monoisotopicmass

  • 560.15299

smiles

  • C=1(OC2=C(C(C1)=O)C(=C(C(=C2)O)[C@H]3[C@H](C([C@@H](C(O3)C)O)=O)O[C@H]4C([C@H]([C@H](C(O4)C)O)O)O)O)C5=CC=C(C=C5)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140126

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