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شیمی بخش اول

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

ترکیب اکسیژن ارگانیک > CP 263,114

Preferred term

CP 263,114  

Type

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

Broader concept

charge

  • 0

formula

  • C31H36O9

has_functional_parent

inchi

  • InChI=1S/C31H36O9/c1-3-5-7-8-9-11-12-18-14-23-30(17-24(33)34)16-20-25(28(36)38-27(20)35)26-19(18)15-22(21(32)13-10-6-4-2)39-31(23,26)40-29(30)37/h3-6,14,18-19,22,26H,7-13,15-17H2,1-2H3,(H,33,34)/b5-3+,6-4+/t18-,19+,22-,26+,30-,31+/m1/s1

inchikey

  • PZLSMKXFWOLXHD-LZQVYANHSA-N

mass

  • 552.620

monoisotopicmass

  • 552.23593

smiles

  • O=C1OC(=O)C2=C1[C@H]3[C@]45O[C@@H](C(=O)CC/C=C/C)C[C@H]3[C@H](CCCCC/C=C/C)C=C4[C@](C2)(C(=O)O5)CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-[(1R,2S,9R,12S,13S,15R)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226801

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