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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 5''-dihydrohygromycin 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 > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 5''-dihydrohygromycin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 5''-dihydrohygromycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 5''-dihydrohygromycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > hydroxycinnamic acid > 5''-dihydrohygromycin a

Preferred term

5''-dihydrohygromycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C23H31NO12

has_role

inchi

  • InChI=1S/C23H31NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,9,13-21,23,25-31H,7H2,1-2H3,(H,24,32)/b8-5+/t9-,13+,14-,15+,16+,17-,18-,19+,20-,21+,23+/m0/s1

inchikey

  • STCSTCYFNDYMLS-CXUMOKCHSA-N

mass

  • 513.49170

monoisotopicmass

  • 513.18463

smiles

  • [H][C@@]1(O[C@@H](Oc2ccc(/C=C(/C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@@]4([H])OCO[C@@]4([H])[C@@H]3O)cc2O)[C@@H](O)[C@@H]1O)[C@H](C)O

subset

  • 2_STAR

synonym RELATED

  • (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69415

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