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Concept information

Preferred term

توبولوزید A  

Type

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

Broader concept

charge

  • 0

formula

  • C37H48O21

inchi

  • InChI=1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/b8-5+/t15-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+/m0/s1

inchikey

  • KZLDMAIXPXOZCX-BBQAUMBQSA-N

mass

  • 828.770

monoisotopicmass

  • 828.26881

smiles

  • O([C@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1OC(=O)C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:228915

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