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Chemistry, part 3

Content language

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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 > acetal > ketal > terrosamycin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > acetal > ketal > terrosamycin b
... > 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 > acetal > ketal > terrosamycin b

Preferred term

terrosamycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C46H80O13

inchi

  • InChI=1S/C46H80O13/c1-25-14-15-33(56-39(25)31(7)41(49)50)22-35-26(2)20-29(5)46(54-13,57-35)24-36-27(3)21-28(4)45(53-12,58-36)23-34(47)30(6)40(48)44(11,52)38-17-19-43(10,59-38)37-16-18-42(9,51)32(8)55-37/h25-39,47,51-52H,14-24H2,1-13H3,(H,49,50)/t25-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35-,36+,37+,38-,39-,42+,43-,44+,45-,46+/m0/s1

inchikey

  • ZTVHWWKOGFPEBH-STCRIONLSA-N

mass

  • 841.133

monoisotopicmass

  • 840.55989

smiles

  • O=C(O)[C@@H]([C@H]1O[C@H](CC[C@@H]1C)C[C@@H]2O[C@@](OC)([C@@H](C)C[C@H]2C)C[C@H]3O[C@](OC)([C@H](C)C[C@@H]3C)C[C@@H](O)[C@H](C(=O)[C@](O)([C@H]4O[C@@]([C@@H]5O[C@H]([C@@](O)(C)CC5)C)(C)CC4)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(2S,3S,6R)-6-[[(2S,3R,5S,6R)-6-[[(2R,3S,5R,6S)-6-[(2R,3R,5R)-2,5-dihydroxy-5-[(2S,5S)-5-[(2R,5R,6S)-5-hydroxy-5,6-dimethyloxan-2-yl]-5-methyloxolan-2-yl]-3-methyl-4-oxohexyl]-6-methoxy-3,5-dimethyloxan-2-yl]methyl]-6-methoxy-3,5-dimethyloxan-2-yl]methyl]-3-methyloxan-2-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208327

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