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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 > organic hydroxy compound > alcohol > tertiary alcohol > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > 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 > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > caudatin-3-o-beta-cymaropyranoside
organooxygen compound > carbonyl compound > ketone > methyl ketone > caudatin-3-o-beta-cymaropyranoside
... > 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 > methyl ketone > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > methyl ketone > caudatin-3-o-beta-cymaropyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > deoxy hexoside > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid saponin > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > caudatin-3-o-beta-cymaropyranoside
... > 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 polycyclic compound > steroid > steroid saponin > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > caudatin-3-o-beta-cymaropyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > caudatin-3-o-beta-cymaropyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > steroid saponin > caudatin-3-o-beta-cymaropyranoside

Preferred term

caudatin-3-o-beta-cymaropyranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C35H54O10

has_parent_hydride

has_role

inchi

  • InChI=1S/C35H54O10/c1-19(2)20(3)15-28(37)45-27-18-26-31(6)11-10-24(44-29-17-25(42-8)30(38)21(4)43-29)16-23(31)9-12-34(26,40)35(41)14-13-33(39,22(5)36)32(27,35)7/h9,15,19,21,24-27,29-30,38-41H,10-14,16-18H2,1-8H3/b20-15+/t21-,24+,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-/m1/s1

inchikey

  • HXGDOYDEDXYRPY-MHKUKWNSSA-N

mass

  • 634.79730

monoisotopicmass

  • 634.37170

smiles

  • [H][C@@]1(C[C@H](OC)[C@H](O)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@]1(O)[C@]2([H])C[C@@H](OC(=O)/C=C(/C)C(C)C)[C@]2(C)[C@@](O)(CC[C@]12O)C(C)=O

subset

  • 3_STAR

synonym EXACT

  • (3beta,12beta,14beta,17alpha)-3-[(2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl (2E)-3,4-dimethylpent-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65603

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