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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 > ketone > cyclic ketone > quinone > cardinalin-5
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > cardinalin-5
... > 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 > ketone > cyclic ketone > quinone > cardinalin-5
... > 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 > ketone > cyclic ketone > quinone > cardinalin-5
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > cardinalin-5

Preferred term

cardinalin-5  

Type

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

Broader concept

charge

  • 0

formula

  • C31H28O11

inchi

  • InChI=1S/C31H28O11/c1-9-6-13-17(11(3)40-9)25(34)21-20(24(13)33)27(36)29-22(26(21)35)19-16(39-5)8-14-18(28(19)42-29)30(37)31(38)12(4)41-10(2)7-15(31)23(14)32/h8-12,15,32,37-38H,6-7H2,1-5H3/t9-,10-,11+,12+,15+,31-/m0/s1

inchikey

  • VDVOXEOBUAGQNY-XNXHRRMNSA-N

mass

  • 576.554

monoisotopicmass

  • 576.16316

smiles

  • O=C1C2=C(C(=O)C3=C1[C@H](O[C@H](C3)C)C)C(=O)C=4OC5=C(C4C2=O)C(OC)=CC6=C(O)[C@H]7C[C@H](C)O[C@@H]([C@]7(C(=C56)O)O)C

subset

  • 2_STAR

synonym EXACT

  • (7R,9S,20R,21R,23S,25R)-19,20,26-trihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.02,15.04,13.06,11.018,27.020,25]nonacosa-1(17),2(15),4(13),6(11),18,26,28-heptaene-3,5,12,14-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198553

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