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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > aurantinin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > aurantinin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > aurantinin 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 > aurantinin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > aurantinin a

Preferred term

aurantinin a  

Type

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

Broader concept

charge

  • 0

formula

  • C38H52O8

inchi

  • InChI=1S/C38H52O8/c1-19(15-20(2)16-30(39)25(7)36(42)43)11-9-8-10-12-26-22(4)17-29-27(14-13-21(3)35(29)41)34-33(26)32-24(6)31(40)18-28(32)23(5)37(44)46-38(34)45/h8-12,17,20-21,24-27,29-31,34-35,39-41H,13-16,18H2,1-7H3,(H,42,43)/b9-8+,12-10+,19-11+,28-23-,33-32-

inchikey

  • RPAJEXJBXAMICD-BBUGLFKUSA-N

mass

  • 636.826

monoisotopicmass

  • 636.36622

smiles

  • O=C1OC(=O)C2C(C(C(C)=CC3C2CCC(C3O)C)/C=C/C=C/C=C(/CC(CC(O)C(C(=O)O)C)C)/C)=C4C(=C1C)CC(O)C4C

subset

  • 2_STAR

synonym EXACT

  • (7E,9E,11E)-12-[(1Z,6Z)-4,16-dihydroxy-3,7,15,19-tetramethyl-8,10-dioxo-9-oxatetracyclo[9.9.0.02,6.012,17]icosa-1,6,18-trien-20-yl]-3-hydroxy-2,5,7-trimethyldodeca-7,9,11-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199062

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