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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 > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > 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 aromatic compound > benzenoid aromatic compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > diarylheptanoid > (2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Preferred term

(2r,3s,4s,5r,6r)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O12

inchi

  • InChI=1S/C30H42O12/c31-15-23-24(35)25(36)26(42-29-27(37)30(38,16-32)17-39-29)28(41-23)40-22(14-9-19-7-12-21(34)13-8-19)4-2-1-3-18-5-10-20(33)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2/t22?,23-,24-,25+,26-,27+,28-,29+,30-/m1/s1

inchikey

  • GFFOBQNFESRPJR-JKHMXVTDSA-N

mass

  • 594.654

monoisotopicmass

  • 594.26763

smiles

  • O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC(CCCCC2=CC=C(O)C=C2)CCC3=CC=C(O)C=C3)CO)[C@@H]4OC[C@@](O)([C@H]4O)CO

subset

  • 2_STAR

synonym EXACT

  • (2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182864

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