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Chemistry, part 1

Content language

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Concept information

organooxygen compound > calcaride c

Preferred term

calcaride c  

Type

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

Broader concept

charge

  • 0

formula

  • C33H40O15

has_functional_parent

inchi

  • InChI=1S/C33H40O15/c1-16-6-20-10-22(34)12-25(36)30(20)32(41)48-19(4)9-28(39)45-17(2)7-21-11-24(43-5)14-26(37)31(21)33(42)47-18(3)8-27(38)44-15-23(35)13-29(40)46-16/h10-12,14,16-19,23,34-37H,6-9,13,15H2,1-5H3/t16-,17-,18-,19-,23+/m1/s1

inchikey

  • HQPUTRDLMKWEQH-HEKOCPBTSA-N

mass

  • 676.668

monoisotopicmass

  • 676.23672

smiles

  • O=C1O[C@@H](CC(=O)OC[C@@H](O)CC(=O)O[C@@H](CC=2C(C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)=C(O)C=C(O)C2)C)C

subset

  • 2_STAR

synonym EXACT

  • (4R,8R,18R,23S,27R)-14,23,31,33-tetrahydroxy-12-methoxy-4,8,18,27-tetramethyl-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaene-2,6,16,20,25-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205975

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