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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 > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > [(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (e)-3-phenylprop-2-enoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > [(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (e)-3-phenylprop-2-enoate
... > 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 > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > [(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (e)-3-phenylprop-2-enoate

Preferred term

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (e)-3-phenylprop-2-enoate  

Type

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

Broader concept

charge

  • 0

formula

  • C30H34O12

inchi

  • InChI=1S/C30H34O12/c1-17-23(33)26(36)28(41-21(31)14-12-18-8-4-2-5-9-18)30(39-17)38-16-20-24(34)25(35)27(37)29(40-20)42-22(32)15-13-19-10-6-3-7-11-19/h2-15,17,20,23-30,33-37H,16H2,1H3/b14-12+,15-13+/t17-,20+,23-,24+,25-,26+,27+,28+,29-,30+/m0/s1

inchikey

  • OWWJIYCJJLVSON-DQLSKFBESA-N

mass

  • 586.590

monoisotopicmass

  • 586.20503

smiles

  • O1[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)/C=C/C4=CC=CC=C4)[C@H](O)[C@@H](O)[C@@H]1C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181809

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